[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

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