(4-methoxyphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: (4-methoxyphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (4-methoxyphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (4-methoxyphenyl) ester Formula: C16H15NO8S2 MolecularWeight: 413.4222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C[S@](=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO8S2/c1-24-11-3-5-12(6-4-11)25-16(18)10-26(21)15-8-7-13(27(2,22)23)9-14(15)17(19)20/h3-9H,10H2,1-2H3/t26-/m0/s1