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 5 results

Search term: LSMJKGIULKKEQZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21468747

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-10-29(55)43-25-15-64(63)38-20(19-6-5-18(51)7-22(19)46-38)8-23(34(58)41-11-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-33(57)21-12-49(13-26(21)52)39(62)24(9-28(40)54)45-35(25)59/h5-7,16-17,21,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,58)(H,42,60)(H,43,55)(H,44,61)(H,45,59)(H,47,56)(H,48,57)/t16?,17-,21?,23+,24+,25+,26?,27-,31-,32-,64?/m0/s1
C39H54N10O14S918.9697101000
21470056

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-10-29(55)43-25-15-64(63)38-20(19-6-5-18(51)7-22(19)46-38)8-23(34(58)41-11-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-33(57)21-12-49(13-26(21)52)39(62)24(9-28(40)54)45-35(25)59/h5-7,16-17,21,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,58)(H,42,60)(H,43,55)(H,44,61)(H,45,59)(H,47,56)(H,48,57)/t16?,17?,21?,23-,24-,25+,26?,27+,31+,32?,64?/m0/s1
C39H54N10O14S918.96971100
24765619

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-10-29(55)43-25-15-64(63)38-20(19-6-5-18(51)7-22(19)46-38)8-23(34(58)41-11-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-33(57)21-12-49(13-26(21)52)39(62)24(9-28(40)54)45-35(25)59/h5-7,16-17,21,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,58)(H,42,60)(H,43,55)(H,44,61)(H,45,59)(H,47,56)(H,48,57)/t16?,17?,21?,23-,24-,25+,26?,27-,31-,32?,64?/m0/s1
C39H54N10O14S918.96971100
34978451

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-10-29(55)43-25-15-64(63)38-20(19-6-5-18(51)7-22(19)46-38)8-23(34(58)41-11-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-33(57)21-12-49(13-26(21)52)39(62)24(9-28(40)54)45-35(25)59/h5-7,16-17,21,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,58)(H,42,60)(H,43,55)(H,44,61)(H,45,59)(H,47,56)(H,48,57)/t16?,17?,21?,23-,24-,25+,26?,27?,31-,32-,64?/m0/s1
C39H54N10O14S918.96971100

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