[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H20O5S2 MolecularWeight: 404.4998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C20H20O5S2/c1-23-17-8-7-15(11-18(17)24-2)16(21)12-25-19(22)13-3-5-14(6-4-13)20-26-9-10-27-20/h3-8,11,20H,9-10,12H2,1-2H3