(2,5-dimethylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: (2,5-dimethylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (2,5-dimethylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (2,5-dimethylphenyl) ester Formula: C17H17NO7S2 MolecularWeight: 411.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)C[S@](=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO7S2/c1-11-4-5-12(2)15(8-11)25-17(19)10-26(22)16-7-6-13(27(3,23)24)9-14(16)18(20)21/h4-9H,10H2,1-3H3/t26-/m0/s1