2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-oxidanylidene-propyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-oxidanylidene-propyl]phenoxy]ethanoic acid Openeye Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-oxo-propyl]phenoxy]acetic acid CAS Name: 2-[2,6-dimethyl-4-[3-[4-(methylthio)phenyl]-3-oxopropyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-oxopropyl]phenoxy]acetic acid Traditional Name: 2-[4-[3-keto-3-[4-(methylthio)phenyl]propyl]-2,6-dimethyl-phenoxy]acetic acid Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)O)C)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)O)C)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22O4S/c1-13-10-15(11-14(2)20(13)24-12-19(22)23)4-9-18(21)16-5-7-17(25-3)8-6-16/h5-8,10-11H,4,9,12H2,1-3H3,(H,22,23)