Matches any text strings used to describe a molecule.
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 11 results

Search term: XOCXXEYUGYTCNG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23206022

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
C34H50O8586.756131000
48062451

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10-/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
C34H50O8586.75610900
32817267

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34?/m0/s1
C34H50O8586.7567700
52563381

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10-/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34?/m0/s1
C34H50O8586.7563300
81132984

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
C34H50O8586.7563200
8252591

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19?,20-,22+,25+,26-,27-,28-,29+,30?,31+,33+,34+/m0/s1
C34H50O8586.7562100
23206012

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28+,29+,30+,31+,33+,34+/m0/s1
C34H50O8586.7562200
107443219

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33?,34+/m0/s1
C34H50O8586.7561400
111307119

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11-,24-10-/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m1/s1
C34H50O8586.7561100
115284835

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H50O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,15,19-20,22,25-31,35-36,38H,7,12-14,16-18H2,1-6H3/b9-8-,21-11+,24-10-/t19-,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
C34H50O8586.7561100

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