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

Systemtic Name: (3-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (3-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-nitrobenzyl) ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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