(4-phenylphenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-phenylphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-phenylphenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-phenylphenyl) ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO4S/c1-26-19-12-9-16(13-18(19)21(23)24)20(22)25-17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-13H,1H3