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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 18 results

Search term: ZKOTUWJMGBWBEO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23550687

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19-/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81437500
49697261

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12-,16-15+,21-13-,22-18-,30-19+/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81436300
4943262

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19+/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81435300
34996531

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19+/t23-,24?,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81434400
52563647

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12-,16-15+,21-13-,22-18-,30-19+/t23-,24?,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81433300
58190375

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19-/t23-,24?,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81433300
68905827

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12?,16-15+,21-13+,22-18+,30-19-/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81432100
128435739

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19+/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34?/m0/s1
C35H56O8604.81432200
8229949

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13-,22-18+,30-19-/t23-,24+,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81432100
23149727

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19-/t23-,24-,25+,26+,27-,29-,31?,32-,33-,34+/m0/s1
C35H56O8604.81432300
57488714

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13-,22-18-,30-19-/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81431100
58132930

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18-,30-19+/t23-,24-,25+,26+,27-,29-,31?,32-,33-,34+/m0/s1
C35H56O8604.81431100
128948902

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13-,22-18+,30-19-/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34+/m0/s1
C35H56O8604.81431100
79715568

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12-,16-15+,21-13-,22-18-,30-19+/t23-,24-,25+,26+,27-,29-,31+,32-,33-,34-/m0/s1
C35H56O8604.81431100
114814324

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13-,22-18+,30-19-/t23-,24?,25+,26+,27-,29-,31+,32+,33-,34+/m0/s1
C35H56O8604.81431100

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