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: XFUDLQUFBZRZQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8899402

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H72O15/c1-11-20(2)12-21(3)13-26(8)39(56-41-38(52)37(51)36(50)31(19-44)55-41)27(9)15-24(6)32(46)22(4)14-23(5)33(47)25(7)16-28(10)40(53)54-30(18-43)35(49)34(48)29(45)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,41-/m0/s1
C41H72O15805.00143200
8254608

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C41H72O15/c1-11-20(2)12-21(3)13-26(8)39(56-41-38(52)37(51)36(50)31(19-44)55-41)27(9)15-24(6)32(46)22(4)14-23(5)33(47)25(7)16-28(10)40(53)54-30(18-43)35(49)34(48)29(45)17-42/h13-16,20-22,25,27,29-39,41-52H,11-12,17-19H2,1-10H3/b23-14+,24-15+,26-13+,28-16+/t20-,21-,22-,25-,27-,29+,30+,31+,32-,33+,34+,35+,36+,37-,38-,39+,41?/m0/s1
C41H72O15805.00142100

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