3-(4-methoxyphenyl)sulfanyl-2-methyl-pentanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-pentanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-pentanoic acid CAS Name: 3-[(4-methoxyphenyl)thio]-2-methylpentanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-2-methylpentanoic acid Traditional Name: 3-[(4-methoxyphenyl)thio]-2-methyl-valeric acid Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(=O)O)SC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C(C)C(=O)O)SC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H18O3S/c1-4-12(9(2)13(14)15)17-11-7-5-10(16-3)6-8-11/h5-9,12H,4H2,1-3H3,(H,14,15)