2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methyl-propyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methyl-propyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-methyl-propyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methylpropyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methylpropyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-methyl-propyl]thio]phenyl]acetic acid Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(C)CSC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(C)CSC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C23H28O5S/c1-4-5-20-21(11-10-19(16(3)24)23(20)27)28-13-15(2)14-29-18-8-6-17(7-9-18)12-22(25)26/h6-11,15,27H,4-5,12-14H2,1-3H3,(H,25,26)