[4-(phenylcarbonyl)phenyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-benzoylphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-benzoylphenyl) ester Formula: C21H15NO5S MolecularWeight: 393.4125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5S/c1-28-19-12-9-16(13-18(19)22(25)26)21(24)27-17-10-7-15(8-11-17)20(23)14-5-3-2-4-6-14/h2-13H,1H3