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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]thio]phenyl]acetic acid Formula: C25H30O5S MolecularWeight: 442.5677

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C25H30O5S/c1-3-5-22-23(13-12-21(16(2)26)25(22)29)30-18-6-4-7-20(15-18)31-19-10-8-17(9-11-19)14-24(27)28/h8-13,18,20,29H,3-7,14-15H2,1-2H3,(H,27,28)