2-[(3-methoxyphenyl)methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(3-methoxyphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-methoxyphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[(3-methoxyphenyl)methyl]pentanoic acid IUPAC Name: 2-[(3-methoxyphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-m-anisyl-5-mercapto-valeric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-16-12-6-2-4-10(9-12)8-11(13(14)15)5-3-7-17/h2,4,6,9,11,17H,3,5,7-8H2,1H3,(H,14,15)