(2,6-ditert-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: (2,6-ditert-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (2,6-ditert-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester IUPAC Name: (2,6-ditert-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (2,6-ditert-butylphenyl) ester Formula: C23H29NO7S2 MolecularWeight: 495.60886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO7S2/c1-22(2,3)16-9-8-10-17(23(4,5)6)21(16)31-20(25)14-32(28)19-12-11-15(33(7,29)30)13-18(19)24(26)27/h8-13H,14H2,1-7H3/t32-/m0/s1