(4-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (4-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-nitrobenzyl) ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4S/c22-18-7-11-20(12-8-18)28-14-16-1-5-17(6-2-16)21(24)27-13-15-3-9-19(10-4-15)23(25)26/h1-12H,13-14H2