(3,4-dichlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (3,4-dichlorophenyl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (3,4-dichlorobenzyl) ester Formula: C15H11Cl2NO4S MolecularWeight: 372.22314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2NO4S/c1-23-14-5-3-10(7-13(14)18(20)21)15(19)22-8-9-2-4-11(16)12(17)6-9/h2-7H,8H2,1H3