(2-methoxy-2-oxidanylidene-ethyl) 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C16H12ClNO6S MolecularWeight: 381.78758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO6S/c1-23-15(19)9-24-16(20)10-2-7-14(13(8-10)18(21)22)25-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3