2-[2,5-dimethyl-4-(4-phenoxybutylsulfanyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-(4-phenoxybutylsulfanyl)phenoxy]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-(4-phenoxybutylsulfanyl)phenoxy]acetic acid CAS Name: 2-[2,5-dimethyl-4-(4-phenoxybutylthio)phenoxy]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-(4-phenoxybutylsulfanyl)phenoxy]acetic acid Traditional Name: 2-[2,5-dimethyl-4-(4-phenoxybutylthio)phenoxy]acetic acid Formula: C20H24O4S MolecularWeight: 360.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCCCCOC2=CC=CC=C2)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCCCCOC2=CC=CC=C2)C)OCC(=O)O

InChI

InChI=1S/C20H24O4S/c1-15-13-19(16(2)12-18(15)24-14-20(21)22)25-11-7-6-10-23-17-8-4-3-5-9-17/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3,(H,21,22)