2-(4-methylphenoxy)-6-phenylsulfanyl-hexanoic acid

Systemtic Name: 2-(4-methylphenoxy)-6-phenylsulfanyl-hexanoic acid Openeye Name: 2-(4-methylphenoxy)-6-phenylsulfanyl-hexanoic acid CAS Name: 2-(4-methylphenoxy)-6-(phenylthio)hexanoic acid IUPAC Name: 2-(4-methylphenoxy)-6-phenylsulfanylhexanoic acid Traditional Name: 2-(4-methylphenoxy)-6-(phenylthio)hexanoic acid Formula: C19H22O3S MolecularWeight: 330.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(CCCCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(CCCCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22O3S/c1-15-10-12-16(13-11-15)22-18(19(20)21)9-5-6-14-23-17-7-3-2-4-8-17/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,20,21)