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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]thio]phenyl]acetic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2CCCC(C2O)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C25H30O6S/c1-3-5-19-20(13-12-18(15(2)26)24(19)29)31-21-6-4-7-22(25(21)30)32-17-10-8-16(9-11-17)14-23(27)28/h8-13,21-22,25,29-30H,3-7,14H2,1-2H3,(H,27,28)