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 3 results

Search term: MJNFBHNVYNPCKI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10283220

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H63NO12/c1-13-24-36(10,42)29(39)19(4)27-17(2)15-35(9,49-27)31(48-33-26(38)23(37-11)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,43-12)30(40)22(7)45-25/h18-26,28-31,33,37-40,42H,13-16H2,1-12H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1
C36H63NO12701.88493300
75803

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H63NO12/c1-13-24-36(10,42)29(39)19(4)27-17(2)15-35(9,49-27)31(48-33-26(38)23(37-11)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,43-12)30(40)22(7)45-25/h18-26,28-31,33,37-40,42H,13-16H2,1-12H3/t18-,19-,20+,21-,22+,23+,24-,25+,26-,28-,29-,30+,31+,33+,34-,35-,36-/m1/s1
C36H63NO12701.88492200
8185537

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C36H63NO12/c1-13-24-36(10,42)29(39)19(4)27-17(2)15-35(9,49-27)31(48-33-26(38)23(37-11)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,43-12)30(40)22(7)45-25/h18-26,28-31,33,37-40,42H,13-16H2,1-12H3
C36H63NO12701.88492100

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