(4-propanoylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-propanoylphenyl) 4-nitrobenzenesulfonate Openeye Name: (4-propanoylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-propionylphenyl) ester Formula: C15H13NO6S MolecularWeight: 335.33182

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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)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c1-2-15(17)11-3-7-13(8-4-11)22-23(20,21)14-9-5-12(6-10-14)16(18)19/h3-10H,2H2,1H3