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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanyl-3-fluoranyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfanyl-3-fluoro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]thio]-3-fluorophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfanyl-3-fluorophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]thio]-3-fluoro-phenyl]-4-keto-butyric acid Formula: C27H31FO7S MolecularWeight: 518.594243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FO7S/c1-3-5-18-21(11-9-17(15(2)29)26(18)33)35-22-6-4-7-24(27(22)34)36-23-12-8-16(14-19(23)28)20(30)10-13-25(31)32/h8-9,11-12,14,22,24,27,33-34H,3-7,10,13H2,1-2H3,(H,31,32)