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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2SCC(S2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2SCC(S2)C3=CC=CC=C3C(=O)O

InChI

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