methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]sulfanylacetate CAS Name: 2-[[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitrophenyl]sulfanylacetate Traditional Name: 2-[[3-(4-chlorophenyl)sulfonyl-2-methyl-5-nitro-phenyl]thio]acetic acid methyl ester Formula: C16H14ClNO6S2 MolecularWeight: 415.86846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])SCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])SCC(=O)OC

InChI

InChI=1S/C16H14ClNO6S2/c1-10-14(25-9-16(19)24-2)7-12(18(20)21)8-15(10)26(22,23)13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3