(4-propanoylphenyl) 4-acetamidobenzenesulfonate

Systemtic Name: (4-propanoylphenyl) 4-acetamidobenzenesulfonate Openeye Name: (4-propanoylphenyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (4-propionylphenyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C17H17NO5S/c1-3-17(20)13-4-8-15(9-5-13)23-24(21,22)16-10-6-14(7-11-16)18-12(2)19/h4-11H,3H2,1-2H3,(H,18,19)