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

Systemtic Name: butan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: sec-butyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid sec-butyl ester Formula: C13H17NO7S2 MolecularWeight: 363.40658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S2/c1-4-9(2)21-13(15)8-22(18)12-6-5-10(23(3,19)20)7-11(12)14(16)17/h5-7,9H,4,8H2,1-3H3