2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-dithiolan-2-yl]benzoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-dithiolan-2-yl]benzoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-dithiolan-2-yl]benzoic acid CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-dithiolan-2-yl]benzoic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-dithiolan-2-yl]benzoic acid Traditional Name: 2-(2-veratryl-1,3-dithiolan-2-yl)benzoic acid Formula: C19H20O4S2 MolecularWeight: 376.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(SCCS2)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(SCCS2)C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C19H20O4S2/c1-22-16-8-7-13(11-17(16)23-2)12-19(24-9-10-25-19)15-6-4-3-5-14(15)18(20)21/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)