4-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-4-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-4-yl)ethyl]benzenesulfonic acid Openeye Name: 4-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-4-yl)ethyl]benzenesulfonic acid CAS Name: 4-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-4-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-4-yl)ethyl]benzenesulfonic acid Traditional Name: 4-[2-(2-keto-5,8-dimethoxy-1H-quinolin-4-yl)ethyl]besylic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=O)NC2=C(C=C1)OC)CCC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

COC1=C2C(=CC(=O)NC2=C(C=C1)OC)CCC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H19NO6S/c1-25-15-9-10-16(26-2)19-18(15)13(11-17(21)20-19)6-3-12-4-7-14(8-5-12)27(22,23)24/h4-5,7-11H,3,6H2,1-2H3,(H,20,21)(H,22,23,24)