[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl 4-chloranylbenzoate

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl 4-chloranylbenzoate Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-nitro-4-(p-tolylthio)benzyl] ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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