propan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: isopropyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid isopropyl ester Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO6S2/c1-8(2)19-12(14)7-20-11-5-4-9(21(3,17)18)6-10(11)13(15)16/h4-6,8H,7H2,1-3H3