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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 86 results

Search term: C42H73O11P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117223204

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H73O11P/c1-4-5-21-28-37(43)29-23-18-15-16-19-24-30-39(44)40(45)31-26-33-42(47)53-38(35-52-54(48,49)50)34-51-41(46)32-25-20-14-12-10-8-6-7-9-11-13-17-22-27-36(2)3/h5,15-16,18-19,21,23-24,29-30,36-40,43-45H,4,6-14,17,20,22,25-28,31-35H2,1-3H3,(H2,48,49,50)/b18-15+,19-16-,21-5-,29-23+,30-24-/t37-,38+,39+,40+/m0/s1
C42H73O11P784.99621100
117223205

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C42H73O11P/c1-4-5-21-28-37(43)29-23-18-15-16-19-24-30-39(44)40(45)31-26-33-41(46)51-34-38(35-52-54(48,49)50)53-42(47)32-25-20-14-12-10-8-6-7-9-11-13-17-22-27-36(2)3/h5,15-16,18-19,21,23-24,29-30,36-40,43-45H,4,6-14,17,20,22,25-28,31-35H2,1-3H3,(H2,48,49,50)/b18-15+,19-16-,21-5-,29-23+,30-24-/t37-,38-,39+,40+/m1/s1
C42H73O11P784.99621100
117223608

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-38(44)31-29-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,27,30,39-40,43,45H,3-10,12,14-16,18,20-22,24,26,28-29,31-37H2,1-2H3,(H,48,49)/b13-11-,19-17-,25-23-,30-27+/t39-,40+/m0/s1
C42H73O11P784.99621100
117223609

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-38(44)31-29-33-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,27,30,39-40,43,45H,3-10,12,14-16,18,20-22,24,26,28-29,31-37H2,1-2H3,(H,48,49)/b13-11-,19-17-,25-23-,30-27+/t39-,40+/m0/s1
C42H73O11P784.99621100
117223610

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-15-18-21-24-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-25-22-19-16-13-14-17-20-23-27-31-38(44)30-26-6-4-2/h13-14,19-20,22-23,27,31,39-40,43,45H,3-12,15-18,21,24-26,28-30,32-37H2,1-2H3,(H,48,49)/b14-13-,22-19-,23-20-,31-27+/t39-,40+/m0/s1
C42H73O11P784.99621100
117223611

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-15-19-22-25-29-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-28-24-21-18-16-13-14-17-20-23-27-31-38(44)30-26-6-4-2/h13-14,18,20-21,23,27,31,39-40,43,45H,3-12,15-17,19,22,24-26,28-30,32-37H2,1-2H3,(H,48,49)/b14-13-,21-18-,23-20-,31-27+/t39-,40+/m0/s1
C42H73O11P784.99621100
117223622

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H73O11P/c1-3-5-6-7-8-9-10-13-17-20-23-26-29-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-30-27-24-21-18-15-12-11-14-16-19-22-25-28-31-38(44)4-2/h12,14-16,21-22,24-25,28,31,38-40,43-45H,3-11,13,17-20,23,26-27,29-30,32-37H2,1-2H3,(H,48,49)/b15-12-,16-14-,24-21-,25-22-,31-28+/t38-,39+,40-/m1/s1
C42H73O11P784.99621100
117223623

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C42H73O11P/c1-3-5-6-7-8-9-10-13-18-21-24-27-30-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-29-26-23-20-17-15-12-11-14-16-19-22-25-28-31-38(44)4-2/h12,14-16,20,22-23,25,28,31,38-40,43-45H,3-11,13,17-19,21,24,26-27,29-30,32-37H2,1-2H3,(H,48,49)/b15-12-,16-14-,23-20-,25-22-,31-28+/t38-,39-,40+/m0/s1
C42H73O11P784.99621100
117223624

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-16-19-22-25-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-26-23-20-17-14-13-15-18-21-24-27-31-38(44)30-6-4-2/h6,13-14,18,20-21,23-24,27,30,38-40,43-45H,3-5,7-12,15-17,19,22,25-26,28-29,31-37H2,1-2H3,(H,48,49)/b14-13-,21-18-,23-20-,27-24+,30-6-/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223625

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-17-20-23-26-29-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-28-25-22-19-16-14-13-15-18-21-24-27-31-38(44)30-6-4-2/h6,13-14,18-19,21-22,24,27,30,38-40,43-45H,3-5,7-12,15-17,20,23,25-26,28-29,31-37H2,1-2H3,(H,48,49)/b14-13-,21-18-,22-19-,27-24+,30-6-/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223626

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-12-13-14-15-16-20-24-28-32-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)33-29-25-21-18-17-19-23-27-31-38(44)30-26-22-10-8-6-4-2/h6,8,18-19,21-23,26-27,31,38-40,43-45H,3-5,7,9-17,20,24-25,28-30,32-37H2,1-2H3,(H,48,49)/b8-6-,21-18-,23-19-,26-22-,31-27+/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223627

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-12-13-14-15-16-21-25-29-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-28-24-20-18-17-19-23-27-31-38(44)30-26-22-10-8-6-4-2/h6,8,18-20,22-23,26-27,31,38-40,43-45H,3-5,7,9-17,21,24-25,28-30,32-37H2,1-2H3,(H,48,49)/b8-6-,20-18-,23-19-,26-22-,31-27+/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223628

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-38(44)31-29-33-42(47)53-40(37-52-54(48,49)51-35-39(45)34-43)36-50-41(46)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,27,30,38-40,43-45H,3-4,6,8-10,12,14-16,18,20-22,24,26,28-29,31-37H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,25-23-,30-27+/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223629

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-38(44)31-29-33-41(46)50-36-40(37-52-54(48,49)51-35-39(45)34-43)53-42(47)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,27,30,38-40,43-45H,3-4,6,8-10,12,14-16,18,20-22,24,26,28-29,31-37H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,25-23-,30-27+/t38?,39-,40+/m0/s1
C42H73O11P784.99621100
117223656

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-13-17-20-23-27-31-41(45)49-35-38(36-51-54(47,48)50-34-37(44)33-43)52-42(46)32-28-24-21-18-15-14-16-19-22-26-30-40-39(53-40)29-25-6-4-2/h10-11,14,16,18,21-22,26,37-40,43-44H,3-9,12-13,15,17,19-20,23-25,27-36H2,1-2H3,(H,47,48)/b11-10-,16-14-,21-18-,26-22-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
117223657

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-8-9-10-11-12-13-18-21-24-28-32-42(46)52-38(36-51-54(47,48)50-34-37(44)33-43)35-49-41(45)31-27-23-20-17-15-14-16-19-22-26-30-40-39(53-40)29-25-6-4-2/h10-11,14,16-17,20,22,26,37-40,43-44H,3-9,12-13,15,18-19,21,23-25,27-36H2,1-2H3,(H,47,48)/b11-10-,16-14-,20-17-,26-22-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
117223658

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-12-13-14-15-16-19-23-27-31-41(45)49-35-38(36-51-54(47,48)50-34-37(44)33-43)52-42(46)32-28-24-20-17-18-22-26-30-40-39(53-40)29-25-21-10-8-6-4-2/h12-13,17,20-22,25-26,37-40,43-44H,3-11,14-16,18-19,23-24,27-36H2,1-2H3,(H,47,48)/b13-12-,20-17-,25-21-,26-22-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
117223659

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-12-13-14-15-16-19-24-28-32-42(46)52-38(36-51-54(47,48)50-34-37(44)33-43)35-49-41(45)31-27-23-20-17-18-22-26-30-40-39(53-40)29-25-21-10-8-6-4-2/h12-13,17,20-22,25-26,37-40,43-44H,3-11,14-16,18-19,23-24,27-36H2,1-2H3,(H,47,48)/b13-12-,20-17-,25-21-,26-22-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
117223660

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-31-41(45)49-35-38(36-51-54(47,48)50-34-37(44)33-43)52-42(46)32-28-24-23-26-30-40-39(53-40)29-25-21-19-17-12-10-8-6-4-2/h12-14,17,21,23,25-26,37-40,43-44H,3-11,15-16,18-20,22,24,27-36H2,1-2H3,(H,47,48)/b14-13-,17-12-,25-21-,26-23-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
117223661

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H73O11P/c1-3-5-7-9-11-13-14-15-16-18-20-22-28-32-42(46)52-38(36-51-54(47,48)50-34-37(44)33-43)35-49-41(45)31-27-24-23-26-30-40-39(53-40)29-25-21-19-17-12-10-8-6-4-2/h12-14,17,21,23,25-26,37-40,43-44H,3-11,15-16,18-20,22,24,27-36H2,1-2H3,(H,47,48)/b14-13-,17-12-,25-21-,26-23-/t37-,38+,39?,40?/m0/s1
C42H73O11P784.99621100
12345

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