2-[4-[ethylsulfanyl-(4-oxidanyl-3-propan-2-yl-phenyl)methyl]-3,5-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[ethylsulfanyl-(4-oxidanyl-3-propan-2-yl-phenyl)methyl]-3,5-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[ethylsulfanyl-(4-hydroxy-3-isopropyl-phenyl)methyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[(ethylthio)-(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[ethylsulfanyl-(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[(ethylthio)-(4-hydroxy-3-isopropyl-phenyl)methyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC(=C(C=C1)O)C(C)C)C2=C(C=C(C=C2C)OCC(=O)O)C

Isomeric SMILES

CCSC(C1=CC(=C(C=C1)O)C(C)C)C2=C(C=C(C=C2C)OCC(=O)O)C

InChI

InChI=1S/C22H28O4S/c1-6-27-22(16-7-8-19(23)18(11-16)13(2)3)21-14(4)9-17(10-15(21)5)26-12-20(24)25/h7-11,13,22-23H,6,12H2,1-5H3,(H,24,25)