[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl 3-methylbenzoate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl 3-methylbenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(4-chlorophenyl)thio]-3-nitro-benzyl] ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4S/c1-14-3-2-4-16(11-14)21(24)27-13-15-5-10-20(19(12-15)23(25)26)28-18-8-6-17(22)7-9-18/h2-12H,13H2,1H3