(4-chlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-chlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-chlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-chlorobenzyl) ester Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO4S/c1-22-14-7-4-11(8-13(14)17(19)20)15(18)21-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3