methyl 4-[2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoyloxy]benzoate Openeye Name: methyl 4-[2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetyl]oxybenzoate CAS Name: 4-[2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetyl]oxybenzoate Traditional Name: 4-[2-[(4-mesyl-2-nitro-phenyl)thio]acetyl]oxybenzoic acid methyl ester Formula: C17H15NO8S2 MolecularWeight: 425.4329

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO8S2/c1-25-17(20)11-3-5-12(6-4-11)26-16(19)10-27-15-8-7-13(28(2,23)24)9-14(15)18(21)22/h3-9H,10H2,1-2H3