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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 9 results

Search term: CKJZKFPVVUQBMB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8921308

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34-/m0/s1
C34H54O8590.7878171400
9016447

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1
C34H54O8590.78783200
95532201

Double-bond stereo

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33?,34-/m0/s1
C34H54O8590.78782300
113611939

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,32+,33+,34-/m0/s1
C34H54O8590.78781100
114815381

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-/m0/s1
C34H54O8590.78781100
115284594

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34+/m0/s1
C34H54O8590.78781100
129309546

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34-/m0/s1
C34H54O8590.78781100
60600752

Double-bond stereo

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22+,23+,24+,25?,26?,27+,28-,29+,30+,31+,32+,33-,34+/m0/s1
C34H54O8590.78781100
78445669

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24?,25?,26?,27?,28?,29?,30?,31+,32+,33-,34+/m0/s1
C34H54O8590.78781100

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