3-chloranyl-5-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]benzoic acid Openeye Name: 3-chloro-5-methoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]benzoic acid CAS Name: 3-chloro-5-methoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]benzoic acid IUPAC Name: 3-chloro-5-methoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]benzoic acid Traditional Name: 3-chloro-4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonyloxy]-5-methoxy-benzoic acid Formula: C17H14ClNO7S MolecularWeight: 411.81356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C17H14ClNO7S/c1-25-14-8-10(17(21)22)7-12(18)16(14)26-27(23,24)11-3-4-13-9(6-11)2-5-15(20)19-13/h3-4,6-8H,2,5H2,1H3,(H,19,20)(H,21,22)