[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H17ClO7S MolecularWeight: 412.84138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C18H17ClO7S/c1-24-16-7-4-11(8-17(16)25-2)15(20)10-26-18(21)13-9-12(27(3,22)23)5-6-14(13)19/h4-9H,10H2,1-3H3