3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-6-chloranyl-4-oxidanylidene-1H-quinolin-2-olate

Systemtic Name: 3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-6-chloranyl-4-oxidanylidene-1H-quinolin-2-olate Openeye Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-6-chloro-4-oxo-1H-quinolin-2-olate CAS Name: 3-[2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl-methylsulfonio]-6-chloro-4-oxo-1H-quinolin-2-olate IUPAC Name: 3-[2-(2-acetyloxybenzoyl)oxyethyl-methylsulfonio]-6-chloro-4-oxo-1H-quinolin-2-olate Traditional Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-6-chloro-4-keto-1H-quinolin-2-olate Formula: C21H18ClNO6S MolecularWeight: 447.88872

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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=C(C=C3)Cl)[O-]

Isomeric SMILES

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

InChI

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