[7-chloranyl-2-oxidanylidene-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] hydrogen sulfate

Systemtic Name: [7-chloranyl-2-oxidanylidene-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] hydrogen sulfate Openeye Name: [7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] hydrogen sulfate CAS Name: sulfuric acid [7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] ester IUPAC Name: [7-chloro-2-oxo-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [7-chloro-2-keto-3-(3-phenoxyphenyl)-1H-quinolin-4-yl] ester Formula: C21H14ClNO6S MolecularWeight: 443.85696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)OS(=O)(=O)O

InChI

InChI=1S/C21H14ClNO6S/c22-14-9-10-17-18(12-14)23-21(24)19(20(17)29-30(25,26)27)13-5-4-8-16(11-13)28-15-6-2-1-3-7-15/h1-12H,(H,23,24)(H,25,26,27)