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: SJXTZRXLMREHNE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90615865

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C41H64O13/c1-19-26(44)28(46)29(47)32(51-19)53-30-27(45)21(43)18-50-33(30)52-24-10-11-36(4)22(35(24,2)3)9-12-37(5)23(36)17-20(42)25-31-40(8,49)39(7)14-16-41(31,34(48)54-39)15-13-38(25,37)6/h19-24,26-30,32-33,42-47,49H,9-18H2,1-8H3/t19-,20-,21-,22?,23?,24-,26-,27-,28+,29+,30+,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1
C41H64O13764.93914200
9731580

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C41H64O13/c1-19-26(44)28(46)29(47)32(51-19)53-30-27(45)21(43)18-50-33(30)52-24-10-11-36(4)22(35(24,2)3)9-12-37(5)23(36)17-20(42)25-31-40(8,49)39(7)14-16-41(31,34(48)54-39)15-13-38(25,37)6/h19-24,26-30,32-33,42-47,49H,9-18H2,1-8H3/t19-,20+,21-,22?,23+,24-,26-,27-,28+,29+,30+,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1
C41H64O13764.9390599999982100

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