2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)propyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2,6-dimethyl-4-[3-[4-(methylthio)phenyl]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)propyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[2,6-dimethyl-4-[3-[4-(methylthio)phenyl]propyl]phenoxy]-2-methyl-propionic acid Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCCC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCCC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H28O3S/c1-15-13-18(8-6-7-17-9-11-19(26-5)12-10-17)14-16(2)20(15)25-22(3,4)21(23)24/h9-14H,6-8H2,1-5H3,(H,23,24)