2-(2-acetyloxyphenyl)carbonyloxyethyl-(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)-methyl-sulfanium

Systemtic Name: 2-(2-acetyloxyphenyl)carbonyloxyethyl-(7-chloranyl-2-oxidanyl-4-oxidanylidene-1H-quinolin-3-yl)-methyl-sulfanium Openeye Name: 2-(2-acetoxybenzoyl)oxyethyl-(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)-methyl-sulfonium CAS Name: 2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl-(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)-methylsulfonium IUPAC Name: 2-(2-acetyloxybenzoyl)oxyethyl-(7-chloro-2-hydroxy-4-oxo-1H-quinolin-3-yl)-methylsulfanium Traditional Name: 2-(2-acetoxybenzoyl)oxyethyl-(7-chloro-2-hydroxy-4-keto-1H-quinolin-3-yl)-methyl-sulfonium Formula: C21H19ClNO6S+ MolecularWeight: 448.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)O

InChI

InChI=1S/C21H18ClNO6S/c1-12(24)29-17-6-4-3-5-15(17)21(27)28-9-10-30(2)19-18(25)14-8-7-13(22)11-16(14)23-20(19)26/h3-8,11H,9-10H2,1-2H3,(H-,23,25,26)/p+1