[4-(3-oxidanylidenebutyl)phenyl] 8-fluoranylquinoline-5-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 8-fluoranylquinoline-5-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 8-fluoroquinoline-5-sulfonate CAS Name: 8-fluoro-5-quinolinesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 8-fluoroquinoline-5-sulfonate Traditional Name: 8-fluoroquinoline-5-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C19H16FNO4S MolecularWeight: 373.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)F

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)F

InChI

InChI=1S/C19H16FNO4S/c1-13(22)4-5-14-6-8-15(9-7-14)25-26(23,24)18-11-10-17(20)19-16(18)3-2-12-21-19/h2-3,6-12H,4-5H2,1H3