methyl 2-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylsulfanyl]benzoate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylsulfanyl]benzoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylsulfanyl]benzoate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylsulfanyl]benzoate Traditional Name: 2-[[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]thio]benzoic acid methyl ester Formula: C21H16ClNO4S2 MolecularWeight: 445.93904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4S2/c1-27-21(24)17-4-2-3-5-19(17)28-13-14-6-11-20(18(12-14)23(25)26)29-16-9-7-15(22)8-10-16/h2-12H,13H2,1H3