[4-(3-oxidanylidenebutyl)phenyl] 6-chloranylpyridine-3-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 6-chloranylpyridine-3-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 6-chloropyridine-3-sulfonate CAS Name: 6-chloro-3-pyridinesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 6-chloropyridine-3-sulfonate Traditional Name: 6-chloropyridine-3-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C15H14ClNO4S/c1-11(18)2-3-12-4-6-13(7-5-12)21-22(19,20)14-8-9-15(16)17-10-14/h4-10H,2-3H2,1H3