tert-butyl 2-[(R)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: tert-butyl 2-[(R)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: tert-butyl 2-[(R)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(R)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(R)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(R)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid tert-butyl ester Formula: C13H17NO7S2 MolecularWeight: 363.40658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO7S2/c1-13(2,3)21-12(15)8-22(18)11-6-5-9(23(4,19)20)7-10(11)14(16)17/h5-7H,8H2,1-4H3/t22-/m1/s1