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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: YMKRDDRXRHTMGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4735525

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7+,17-8+,19-14+
C31H43N3O8585.68844400
23205898

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8+,19-14+/t16-,18+,24+,25+,27-,29+/m1/s1
C31H43N3O8585.68843300
8161346

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7+,17-8-,19-14+/t16-,18+,24+,25+,27-,29+/m1/s1
C31H43N3O8585.68842100
20135339

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8-,19-14-
C31H43N3O8585.68842200
382953

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)
C31H43N3O8585.68842100
4585284

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7+,17-8-,19-14+
C31H43N3O8585.68842200
32773772

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8+,19-14-
C31H43N3O8585.68841100
58122097

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H43N3O8/c1-16-12-21-26(33-20-10-11-20)23(35)15-22(28(21)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,20,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8-,19-14+/t16-,18+,24+,25+,27-,29+/m1/s1
C31H43N3O8585.68841100

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