3-(4-methylphenyl)sulfonyl-2-oxidanyl-4-oxidanylidene-1H-quinoline-7-carboxylate

Systemtic Name: 3-(4-methylphenyl)sulfonyl-2-oxidanyl-4-oxidanylidene-1H-quinoline-7-carboxylate Openeye Name: 2-hydroxy-4-oxo-3-(p-tolylsulfonyl)-1H-quinoline-7-carboxylate CAS Name: 2-hydroxy-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-7-carboxylate IUPAC Name: 2-hydroxy-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-7-carboxylate Traditional Name: 2-hydroxy-4-keto-3-tosyl-1H-quinoline-7-carboxylate Formula: C17H12NO6S- MolecularWeight: 358.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C(C2=O)C=CC(=C3)C(=O)[O-])O

InChI

InChI=1S/C17H13NO6S/c1-9-2-5-11(6-3-9)25(23,24)15-14(19)12-7-4-10(17(21)22)8-13(12)18-16(15)20/h2-8H,1H3,(H,21,22)(H2,18,19,20)/p-1