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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-cyclohexyl]sulfanylphenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]sulfanylphenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]thio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxycyclohexyl]sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-cyclohexyl]thio]phenyl]-4-keto-butyric acid Formula: C27H32O7S MolecularWeight: 500.60378

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O7S/c1-3-5-20-22(14-12-19(16(2)28)26(20)32)34-23-6-4-7-24(27(23)33)35-18-10-8-17(9-11-18)21(29)13-15-25(30)31/h8-12,14,23-24,27,32-33H,3-7,13,15H2,1-2H3,(H,30,31)