2-[(2,5-dimethoxyphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(2,5-dimethoxyphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[(2,5-dimethoxyphenyl)methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[(2,5-dimethoxyphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(2,5-dimethoxybenzyl)-5-mercapto-valeric acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC(CCCS)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC(CCCS)C(=O)O

InChI

InChI=1S/C14H20O4S/c1-17-12-5-6-13(18-2)11(9-12)8-10(14(15)16)4-3-7-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,15,16)