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

Systemtic Name: propan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: isopropyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid isopropyl ester Formula: C12H15NO7S2 MolecularWeight: 349.38

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO7S2/c1-8(2)20-12(14)7-21(17)11-5-4-9(22(3,18)19)6-10(11)13(15)16/h4-6,8H,7H2,1-3H3