6-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-hexanoic acid

Systemtic Name: 6-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-hexanoic acid Openeye Name: 6-(3-methoxyphenyl)-2-methyl-2-methylsulfanyl-hexanoic acid CAS Name: 6-(3-methoxyphenyl)-2-methyl-2-(methylthio)hexanoic acid IUPAC Name: 6-(3-methoxyphenyl)-2-methyl-2-methylsulfanylhexanoic acid Traditional Name: 6-(3-methoxyphenyl)-2-methyl-2-(methylthio)hexanoic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC1=CC(=CC=C1)OC)(C(=O)O)SC

Isomeric SMILES

CC(CCCCC1=CC(=CC=C1)OC)(C(=O)O)SC

InChI

InChI=1S/C15H22O3S/c1-15(19-3,14(16)17)10-5-4-7-12-8-6-9-13(11-12)18-2/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,17)