methyl 2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)methylthio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-chlorobenzyl)thio]-5-nitro-benzoic acid methyl ester Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SCC2=CC=C(C=C2)Cl

InChI

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