5-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-pentanoic acid

Systemtic Name: 5-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-pentanoic acid Openeye Name: 5-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-pentanoic acid CAS Name: 5-(3-methoxyphenyl)-2-methyl-2-(methylthio)pentanoic acid IUPAC Name: 5-(3-methoxyphenyl)-2-methyl-2-methylsulfanylpentanoic acid Traditional Name: 5-(3-methoxyphenyl)-2-methyl-2-(methylthio)valeric acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC(=CC=C1)OC)(C(=O)O)SC

Isomeric SMILES

CC(CCCC1=CC(=CC=C1)OC)(C(=O)O)SC

InChI

InChI=1S/C14H20O3S/c1-14(18-3,13(15)16)9-5-7-11-6-4-8-12(10-11)17-2/h4,6,8,10H,5,7,9H2,1-3H3,(H,15,16)