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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 8 results

Search term: NFOKXEYWZUZJRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9874106

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22+,24-,26+,27-,28+,29-,30-,31+/m0/s1
C31H46O7530.69276500
8567675

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+
C31H46O7530.69274500
5005851

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22-,24-,26-,27-,28-,29-,30+,31+/m0/s1
C31H46O7530.69273200
4946991

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9-,15-10-,19-17+/t21-,22-,24-,26-,27-,28-,29-,30+,31+/m0/s1
C31H46O7530.69272200
28492766

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22-,24-,26+,27-,28+,29-,30-,31+/m0/s1
C31H46O7530.69272200
57522522

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9-,15-10+,19-17+/t21-,22-,24-,26-,27-,28-,29-,30+,31+/m0/s1
C31H46O7530.69271100
13109284

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9+,15-10+,19-17+/t21-,22+,24-,26+,27-,28+,29-,30-,31-/m0/s1
C31H46O7530.69271100
28283019

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O7/c1-8-11-21(5)29-31(38-29)30-22(6)16-18(2)13-10-15-24(32)27(35)23(7)28(36)26(34)20(4)14-9-12-19(3)17-25(33)37-30/h9-10,12,15,17,21-22,24,26-32,34-36H,2,4,7-8,11,13-14,16H2,1,3,5-6H3/b12-9-,15-10-,19-17-/t21-,22+,24-,26+,27-,28+,29-,30-,31+/m0/s1
C31H46O7530.69271100

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