[4-(1,3-dithiolan-2-yl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-chloranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-7-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate CAS Name: 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonate Traditional Name: 6-chloro-2-keto-3,4-dihydro-1H-quinoline-7-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H16ClNO4S3 MolecularWeight: 441.97194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC(=O)NC2=CC(=C(C=C21)Cl)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C18H16ClNO4S3/c19-14-9-12-3-6-17(21)20-15(12)10-16(14)27(22,23)24-13-4-1-11(2-5-13)18-25-7-8-26-18/h1-2,4-5,9-10,18H,3,6-8H2,(H,20,21)