3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propanoic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propanoic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propanoic acid CAS Name: 3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propanoic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propanoic acid Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]propionic acid Formula: C15H20O4S2 MolecularWeight: 328.4469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(SCCCS2)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(SCCCS2)CCC(=O)O)OC

InChI

InChI=1S/C15H20O4S2/c1-18-12-5-4-11(10-13(12)19-2)15(7-6-14(16)17)20-8-3-9-21-15/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)