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

Systemtic Name: 2-[4-[3-methoxy-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-methoxy-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-methoxy-3-[4-(methylthio)phenyl]propyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-methoxy-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-methoxy-3-[4-(methylthio)phenyl]propyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(C2=CC=C(C=C2)SC)OC

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(C2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C23H30O4S/c1-15-13-17(14-16(2)21(15)27-23(3,4)22(24)25)7-12-20(26-5)18-8-10-19(28-6)11-9-18/h8-11,13-14,20H,7,12H2,1-6H3,(H,24,25)