methyl 4-[2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetyl]oxybenzoate CAS Name: 4-[2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetyl]oxybenzoate Traditional Name: 4-[2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetyl]oxybenzoic acid methyl ester Formula: C17H15NO9S2 MolecularWeight: 441.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=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/C17H15NO9S2/c1-26-17(20)11-3-5-12(6-4-11)27-16(19)10-28(23)15-8-7-13(29(2,24)25)9-14(15)18(21)22/h3-9H,10H2,1-2H3/t28-/m0/s1