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: ATENQQWBINSAEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
68151736

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-46(6)25(43(28,2)3)11-14-48(8)26(46)10-9-22-23-17-44(4,20-50)18-27(51)45(23,5)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44-,45+,46-,47+,48+/m0/s1
C48H78O18943.12218600
110417411

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-46(6)25(43(28,2)3)11-14-48(8)26(46)10-9-22-23-17-44(4,20-50)18-27(51)45(23,5)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45+,46-,47+,48+/m0/s1
C48H78O18943.12215500
8971232

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-46(6)25(43(28,2)3)11-14-48(8)26(46)10-9-22-23-17-44(4,20-50)18-27(51)45(23,5)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45+,46-,47+,48+/m0/s1
C48H78O18943.12212100
9978616

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-46(6)25(43(28,2)3)11-14-48(8)26(46)10-9-22-23-17-44(4,20-50)18-27(51)45(23,5)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44-,45+,46-,47+,48+/m0/s1
C48H78O18943.12212100
113589363

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-46(6)25(43(28,2)3)11-14-48(8)26(46)10-9-22-23-17-44(4,20-50)18-27(51)45(23,5)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44-,45+,46-,47+,48+/m1/s1
C48H78O18943.12211100

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