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

Systemtic Name: (3-methylphenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: m-tolyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid m-tolyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4S/c1-10-4-3-5-12(8-10)20-15(17)11-6-7-14(21-2)13(9-11)16(18)19/h3-9H,1-2H3