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

Systemtic Name: ethyl 2-[2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoyloxy]benzoate Openeye Name: ethyl 2-[2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetyl]oxybenzoate CAS Name: 2-[2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]-1-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetyl]oxybenzoate Traditional Name: 2-[2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetyl]oxybenzoic acid ethyl ester Formula: C18H17NO9S2 MolecularWeight: 455.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC(=O)C[S@](=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO9S2/c1-3-27-18(21)13-6-4-5-7-15(13)28-17(20)11-29(24)16-9-8-12(30(2,25)26)10-14(16)19(22)23/h4-10H,3,11H2,1-2H3/t29-/m0/s1