(2-propanoylphenyl) 3-methylquinoline-8-sulfonate

Systemtic Name: (2-propanoylphenyl) 3-methylquinoline-8-sulfonate Openeye Name: (2-propanoylphenyl) 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [2-(1-oxopropyl)phenyl] ester IUPAC Name: (2-propanoylphenyl) 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid (2-propionylphenyl) ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C19H17NO4S/c1-3-16(21)15-8-4-5-9-17(15)24-25(22,23)18-10-6-7-14-11-13(2)12-20-19(14)18/h4-12H,3H2,1-2H3