(4-oxidanylidene-1H-quinolin-3-yl) propane-1-sulfonate

Systemtic Name: (4-oxidanylidene-1H-quinolin-3-yl) propane-1-sulfonate Openeye Name: (4-oxo-1H-quinolin-3-yl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (4-oxo-1H-quinolin-3-yl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (4-keto-1H-quinolin-3-yl) ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CNC2=CC=CC=C2C1=O

Isomeric SMILES

CCCS(=O)(=O)OC1=CNC2=CC=CC=C2C1=O

InChI

InChI=1S/C12H13NO4S/c1-2-7-18(15,16)17-11-8-13-10-6-4-3-5-9(10)12(11)14/h3-6,8H,2,7H2,1H3,(H,13,14)