2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid

Systemtic Name: 2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid Openeye Name: 2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid CAS Name: 2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid IUPAC Name: 2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid Traditional Name: 2-(1,3-dithiolan-4-yl)-3-(3,4,5-trimethoxyphenyl)benzoic acid Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=CC=C2)C(=O)O)C3CSCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=CC=C2)C(=O)O)C3CSCS3

InChI

InChI=1S/C19H20O5S2/c1-22-14-7-11(8-15(23-2)18(14)24-3)12-5-4-6-13(19(20)21)17(12)16-9-25-10-26-16/h4-8,16H,9-10H2,1-3H3,(H,20,21)