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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
Additional Filters

Found 23 results

Search term: YNFMRVVYUVPIAN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24750875

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
C36H52O8612.7933252397
32700292

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13+,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
C36H52O8612.793312900
4940794

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
C36H52O8612.79334300
8136166

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35+,36+/m0/s1
C36H52O8612.79332100
8207383

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined

Non-standard isotope
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33?,35-,36+/m0/s1/i1+2,2+2,13+2,20+2
C3214C4H52O8620.76342200
8547337

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined

Non-standard isotope
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33?,35-,36+/m0/s1/i3+2,4+2,6+2,9+2,14+2,19+2,21+2,22+2,24+2,26+2,32+2,36+2
C2414C12H52O8636.70382200
8569860

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined

Non-standard isotope
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33?,35-,36+/m0/s1/i1+2,2+2,3+2,4+2,6+2,9+2,13+2,14+2,19+2,20+2,21+2,22+2,24+2,26+2,32+2,36+2
C2014C16H52O8644.67392200
8637313

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined

Non-standard isotope
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33?,35-,36+/m0/s1/i8+2,10+2,11+2,12+2,15+2,16+2,17+2,18+2,23+2,25+2,27+2,28+2,29+2,30+2,31+2,33+2,34+2,35+2
C1814C18H52O8648.6592200
9933162

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33?,35-,36+/m0/s1
C36H52O8612.79332100
30791865

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35?,36+/m0/s1
C36H52O8612.79332100
68026956

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13-,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
C36H52O8612.79332200
79715725

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13+,26-10-/t21-,25-,27+,28?,29-,30-,31+,32+,33-,35+,36-/m0/s1
C36H52O8612.79331100
79715886

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13u,26-10-/t21-,25-,27+,28-,29+,30-,31?,32+,33?,35?,36+/m0/s1
C36H52O8612.79331100
111307049

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13+,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m1/s1
C36H52O8612.79331100
111310149

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8-,22-11-,24-13+,26-10-/t21-,25-,27+,28+,29+,30-,31+,32+,33+,35-,36+/m1/s1
C36H52O8612.79331100
114815708

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13u,26-10+/t21-,25+,27-,28+,29+,30+,31-,32-,33-,35+,36+/m1/s1
C36H52O8612.79331100
65322970

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11-,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
C36H52O8612.79331100
67154644

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13u,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35?,36+/m0/s1
C36H52O8612.79331200
12

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