4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methyl-propoxy]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methyl-propoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-methyl-propoxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methylpropoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-methylpropoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-methyl-propoxy]phenyl]-4-keto-butyric acid Formula: C25H30O7 MolecularWeight: 442.5015

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(C)COC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(C)COC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C25H30O7/c1-4-5-21-23(12-10-20(17(3)26)25(21)30)32-15-16(2)14-31-19-8-6-18(7-9-19)22(27)11-13-24(28)29/h6-10,12,16,30H,4-5,11,13-15H2,1-3H3,(H,28,29)