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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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