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: WCNMEQDMUYVWMJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28184621

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28N6O11/c1-8-9(5-10(38-34)12(19(32)35-3)24-21(33)36-4)27-17(31)13-16(25(2)20(27)23-8)26(7-22-13)18-15(30)14(29)11(6-28)37-18/h7,10-12,14-15,18,28-30,34H,5-6H2,1-4H3,(H,24,33)/t10?,11-,12+,14-,15-,18-/m1/s1
C21H28N6O11540.48064400
166804

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C21H28N6O11/c1-8-9(5-10(38-34)12(19(32)35-3)24-21(33)36-4)27-17(31)13-16(25(2)20(27)23-8)26(7-22-13)18-15(30)14(29)11(6-28)37-18/h7,10-12,14-15,18,28-30,34H,5-6H2,1-4H3,(H,24,33)/t10?,11-,12?,14-,15-,18-/m1/s1
C21H28N6O11540.48063300

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