4-(5-oxidanylidene-1H-quinolin-6-yl)butyl 4-methyl-2-oxidanyl-benzenesulfonate

Systemtic Name: 4-(5-oxidanylidene-1H-quinolin-6-yl)butyl 4-methyl-2-oxidanyl-benzenesulfonate Openeye Name: 4-(5-oxo-1H-quinolin-6-yl)butyl 2-hydroxy-4-methyl-benzenesulfonate CAS Name: 2-hydroxy-4-methylbenzenesulfonic acid 4-(5-oxo-1H-quinolin-6-yl)butyl ester IUPAC Name: 4-(5-oxo-1H-quinolin-6-yl)butyl 2-hydroxy-4-methylbenzenesulfonate Traditional Name: 2-hydroxy-4-methyl-benzenesulfonic acid 4-(5-keto-1H-quinolin-6-yl)butyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OCCCCC2=CC=C3C(=CC=CN3)C2=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OCCCCC2=CC=C3C(=CC=CN3)C2=O)O

InChI

InChI=1S/C20H21NO5S/c1-14-7-10-19(18(22)13-14)27(24,25)26-12-3-2-5-15-8-9-17-16(20(15)23)6-4-11-21-17/h4,6-11,13,21-22H,2-3,5,12H2,1H3