2-oxidanylidenepropyl 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: 2-oxidanylidenepropyl 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: acetonyl 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid acetonyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC=CC=C1SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)COC(=O)C1=CC=CC=C1SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-11(18)10-22-16(19)14-4-2-3-5-15(14)23-13-8-6-12(7-9-13)17(20)21/h2-9H,10H2,1H3