(4-methylsulfanylphenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C15H12ClNO4S MolecularWeight: 337.77808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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