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

Systemtic Name: 2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]benzoic acid Openeye Name: 2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]benzoic acid CAS Name: 2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]benzoic acid IUPAC Name: 2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]benzoic acid Traditional Name: 2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]benzoic acid Formula: C21H24O7S2 MolecularWeight: 452.54106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O7S2/c1-24-14-7-11(6-13(20(22)23)18(14)27-4)17-10-29-21(30-17)12-8-15(25-2)19(28-5)16(9-12)26-3/h6-9,17,21H,10H2,1-5H3,(H,22,23)