[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H18O7S MolecularWeight: 378.39632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O7S/c1-23-16-8-7-12(10-17(16)24-2)15(19)11-25-18(20)13-5-4-6-14(9-13)26(3,21)22/h4-10H,11H2,1-3H3