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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]sulfanylphenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]thio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)cyclohexyl]sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)cyclohexyl]thio]phenyl]-4-keto-butyric acid Formula: C27H32O6S MolecularWeight: 484.60438

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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)C(=O)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32O6S/c1-3-5-23-25(14-12-22(17(2)28)27(23)32)33-19-6-4-7-21(16-19)34-20-10-8-18(9-11-20)24(29)13-15-26(30)31/h8-12,14,19,21,32H,3-7,13,15-16H2,1-2H3,(H,30,31)