methyl 4-(2-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-(2-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-(o-tolylsulfanyl)benzoate CAS Name: 4-[(2-methylphenyl)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(o-tolylthio)benzoic acid methyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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