4-[4-[1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfinyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfinyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[1-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfinyl-3-fluoro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[1-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfinyl-3-fluorophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[1-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfinyl-3-fluorophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[1-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfinyl-3-fluoro-phenyl]-4-keto-butyric acid Formula: C27H31FO8S MolecularWeight: 534.593643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC2(CCCCC2O)S(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)O)F

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC2(CCCCC2O)S(=O)C3=C(C=C(C=C3)C(=O)CCC(=O)O)F

InChI

InChI=1S/C27H31FO8S/c1-3-6-19-22(11-9-18(16(2)29)26(19)34)36-27(14-5-4-7-24(27)31)37(35)23-12-8-17(15-20(23)28)21(30)10-13-25(32)33/h8-9,11-12,15,24,31,34H,3-7,10,13-14H2,1-2H3,(H,32,33)