(4-chlorophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (4-chlorophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (4-chlorophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid (4-chlorophenyl) ester Formula: C15H12ClNO6S2 MolecularWeight: 401.84188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO6S2/c1-25(21,22)12-6-7-14(13(8-12)17(19)20)24-9-15(18)23-11-4-2-10(16)3-5-11/h2-8H,9H2,1H3