2-[3-(4-methylphenyl)sulfanyl-4-nitro-phenyl]carbonylbenzoate

Systemtic Name: 2-[3-(4-methylphenyl)sulfanyl-4-nitro-phenyl]carbonylbenzoate Openeye Name: 2-[4-nitro-3-(p-tolylsulfanyl)benzoyl]benzoate CAS Name: 2-[[3-[(4-methylphenyl)thio]-4-nitrophenyl]-oxomethyl]benzoate IUPAC Name: 2-[3-(4-methylphenyl)sulfanyl-4-nitrobenzoyl]benzoate Traditional Name: 2-[4-nitro-3-(p-tolylthio)benzoyl]benzoate Formula: C21H14NO5S- MolecularWeight: 392.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

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