2-methyl-2-[4-[2-(2,3,5-trimethyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[2-(2,3,5-trimethyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]propanoic acid Openeye Name: 2-[4-[2-(4-hydroxy-2,3,5-trimethyl-phenyl)sulfanylethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[(4-hydroxy-2,3,5-trimethylphenyl)thio]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-(4-hydroxy-2,3,5-trimethylphenyl)sulfanylethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(4-hydroxy-2,3,5-trimethyl-phenyl)thio]ethyl]phenoxy]-2-methyl-propionic acid Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)C)SCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)C)SCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H26O4S/c1-13-12-18(14(2)15(3)19(13)22)26-11-10-16-6-8-17(9-7-16)25-21(4,5)20(23)24/h6-9,12,22H,10-11H2,1-5H3,(H,23,24)