Matches any text strings used to describe a molecule.
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
Additional Filters

Found 14 results

Search term: IZEUIYYDWBKERE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4941895

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
C31H50O2454.7275212637
17466838

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28?,29?,30+,31-/m1/s1
C31H50O2454.72758400
4515651

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+
C31H50O2454.727561700
4937690

Double-bond stereo

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21?,23?,25-,26?,27?,28?,29?,30?,31?/m0/s1
C31H50O2454.72753400
4510578

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9-
C31H50O2454.72753200
15132

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3
C31H50O2454.72752100
9147707

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1
C31H50O2454.72752100
9815797

Double-bond stereo

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9-/t21?,23-,25+,26?,27-,28?,29?,30+,31-/m1/s1
C31H50O2454.72752100
9908083

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23?,25+,26+,27-,28+,29+,30+,31-/m1/s1/i2+1,3+1,4+1,6+1,7+1,9+1,14+1,17+1,19+1,20+1,23+1,25+1,27+1,29+1,31+1
C1613C15H50O2469.61732200
20121680

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25?,26+,27-,28+,29+,30+,31-/m1/s1
C31H50O2454.72752200
67036905

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
C31H50O2454.72752300
67154563

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/t21-,23-,25?,26+,27-,28+,29+,30+,31-/m1/s1
C31H50O2454.72751100
68016699

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28?,29?,30+,31-/m1/s1
C31H50O2454.72751100

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