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
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Found 2 results

Search term: QCKDBUSBUSSYPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8137859

16 of 18 defined stereocentres - 16/18 defined
InChI=1/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)43)15-12-26-37(3,4)28(13-16-41(26,27)20-42)54-36-34(49)32(47)31(46)25(53-36)19-52-35-33(48)30(45)24(44)18-51-35/h9,22,24-36,42,44-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27?,28?,29-,30+,31-,32+,33-,34-,35-,36-,38-,39-,40+,41-/m1/s1
C41H68O13768.97082100
8503297

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)43)15-12-26-37(3,4)28(13-16-41(26,27)20-42)54-36-34(49)32(47)31(46)25(53-36)19-52-35-33(48)30(45)24(44)18-51-35/h9,22,24-36,42,44-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32+,33-,34-,35+,36-,38-,39-,40+,41-/m1/s1
C41H68O13768.97082100

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