[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H17NO9S MolecularWeight: 423.39388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO9S/c1-26-12-5-6-13(16(9-12)27-2)15(20)10-28-18(21)11-4-7-17(29(3,24)25)14(8-11)19(22)23/h4-9H,10H2,1-3H3