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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl 3-chloranylbenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(4-chlorophenyl)thio]-3-nitro-benzyl] ester Formula: C20H13Cl2NO4S MolecularWeight: 434.29252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2NO4S/c21-15-5-7-17(8-6-15)28-19-9-4-13(10-18(19)23(25)26)12-27-20(24)14-2-1-3-16(22)11-14/h1-11H,12H2