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 4 results

Search term: PVYKGJCGTZQNJL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9091263

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H19N3O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,9H2,1-3H3
C19H19N3O6385.3707262400
18929396

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H19N3O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,9H2,1-3H3/t17-/m1/s1
C19H19N3O6385.37074300
18929395

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H19N3O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,9H2,1-3H3/t17-/m0/s1
C19H19N3O6385.37073200
107439351

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H19N3O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,9H2,1-3H3/i3D3
C19H16D3N3O6388.38911100

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