(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: 1-benzoylpropyl 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid 1-benzoylpropyl ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO5S/c1-2-20(22(25)16-8-4-3-5-9-16)29-23(26)19-10-6-7-11-21(19)30-18-14-12-17(13-15-18)24(27)28/h3-15,20H,2H2,1H3