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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 22 results

Search term: ILYCWAKSDCYMBB (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470607

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.66424555374881
10293390

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20?,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.6642101000
32700894

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20-,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.66425400
2962

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3
C28H46O398.66424300
77498584

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20-,21-,22+,25+,26+,27-,28-/m1/s1
C28H46O398.66423200
4642428

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26?,27-,28+/m0/s1
C28H46O398.66423300
7826197

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25+,26+,27-,28+/m0/s1
C28H46O398.66423400
8176531

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21+,22+,25+,26+,27-,28+/m0/s1
C28H46O398.66422100
8628918

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12-,24-13-/t20-,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.66422100
5140634

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/t20-,21-,22+,25-,26?,27-,28+/m0/s1
C28H46O398.66422100
30791252

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26?,27?,28+/m0/s1
C28H46O398.66422200
62462238

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21+,22+,25-,26-,27-,28+/m1/s1
C28H46O398.66421100
73975063

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9-,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.66421100
78431075

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20?,21-,22+,25-,26+,27-,28+/m0/s1
C28H46O398.66421100
79715438

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20-,21+,22+,25+,26+,27-,28+/m0/s1
C28H46O398.66421100
111310164

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20-,21-,22+,25+,26+,27-,28-/m0/s1
C28H46O398.66421100
12

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