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: XAHVHHZPUHYSQI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8254530

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C41H70O14/c1-19(2)23(21(4)16-52-37-34(49)30(45)26(43)17-53-37)9-8-20(3)29-32(47)33(48)36-40(29,6)13-11-28-39(5)12-10-22(14-24(39)25(42)15-41(28,36)50)55-38-35(51-7)31(46)27(44)18-54-38/h14,19-23,25-38,42-50H,8-13,15-18H2,1-7H3/t20-,21-,22+,23+,25-,26-,27-,28?,29+,30+,31+,32-,33+,34-,35-,36?,37-,38+,39+,40-,41+/m1/s1
C41H70O14786.98612100
29213351

17 of 21 defined stereocentres - 17/21 defined
InChI=1/C41H70O14/c1-19(2)23(21(4)16-52-37-34(49)30(45)26(43)17-53-37)9-8-20(3)29-32(47)33(48)36-40(29,6)13-11-28-39(5)12-10-22(14-24(39)25(42)15-41(28,36)50)55-38-35(51-7)31(46)27(44)18-54-38/h14,19-23,25-38,42-50H,8-13,15-18H2,1-7H3/t20-,21-,22+,23+,25-,26-,27-,28-,29+,30?,31?,32-,33+,34?,35?,36-,37-,38+,39+,40-,41+/m1/s1
C41H70O14786.98612200

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