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 2 results

Search term: WQTDUOHTGZBHNH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9018919

22 of 23 defined stereocentres - 22/23 defined
InChI=1/C48H76O21/c1-21(39(61)62)22-10-12-46(5)28(45(22,4)11-7-15-49)9-8-23-24-16-44(2,3)13-14-48(24,29(52)17-47(23,46)6)43(63)69-42-37(60)38(68-41-36(59)34(57)31(54)26(19-51)66-41)32(55)27(67-42)20-64-40-35(58)33(56)30(53)25(18-50)65-40/h8,22,24-38,40-42,49-60H,1,7,9-20H2,2-6H3,(H,61,62)/t22?,24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38-,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H76O21989.10442100
10278751

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C48H76O21/c1-21(39(61)62)22-10-12-46(5)28(45(22,4)11-7-15-49)9-8-23-24-16-44(2,3)13-14-48(24,29(52)17-47(23,46)6)43(63)69-42-37(60)38(68-41-36(59)34(57)31(54)26(19-51)66-41)32(55)27(67-42)20-64-40-35(58)33(56)30(53)25(18-50)65-40/h8,22,24-38,40-42,49-60H,1,7,9-20H2,2-6H3,(H,61,62)/t22-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38-,40+,41-,42-,45-,46+,47+,48+/m0/s1
C48H76O21989.10441100

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