2-[1-(4-methoxyphenyl)sulfanyl-4-methyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-(4-methoxyphenyl)sulfanyl-4-methyl-cyclohexyl]ethanoic acid Openeye Name: 2-[1-(4-methoxyphenyl)sulfanyl-4-methyl-cyclohexyl]acetic acid CAS Name: 2-[1-[(4-methoxyphenyl)thio]-4-methylcyclohexyl]acetic acid IUPAC Name: 2-[1-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]acetic acid Traditional Name: 2-[1-[(4-methoxyphenyl)thio]-4-methyl-cyclohexyl]acetic acid Formula: C16H22O3S MolecularWeight: 294.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CC(=O)O)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC1CCC(CC1)(CC(=O)O)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22O3S/c1-12-7-9-16(10-8-12,11-15(17)18)20-14-5-3-13(19-2)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,17,18)