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 2 results

Search term: PYOFDRKUKHPATO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58818390

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C32H36N4O9/c1-13(37)10-32(4,43)31(42)34-12-21-22-16(25(38)14(2)29(44-6)27(22)40)9-19-24-23-17(26(39)15(3)30(45-7)28(23)41)8-18(35(24)5)20(11-33)36(19)21/h18-21,24,43H,8-10,12H2,1-7H3,(H,34,42)/t18-,19-,20?,21-,24-,32?/m0/s1
C32H36N4O9620.64964200
2343000

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C32H36N4O9/c1-13(37)10-32(4,43)31(42)34-12-21-22-16(25(38)14(2)29(44-6)27(22)40)9-19-24-23-17(26(39)15(3)30(45-7)28(23)41)8-18(35(24)5)20(11-33)36(19)21/h18-21,24,43H,8-10,12H2,1-7H3,(H,34,42)/t18?,19-,20?,21-,24?,32?/m0/s1
C32H36N4O9620.6496399999993200

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