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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-3-methyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-methyl-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-methylphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-methylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-methyl-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)OCCCOC2=C(C=C(C=C2)C(=O)CCC(=O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C25H30O7/c1-4-6-20-23(11-8-19(17(3)26)25(20)30)32-14-5-13-31-22-10-7-18(15-16(22)2)21(27)9-12-24(28)29/h7-8,10-11,15,30H,4-6,9,12-14H2,1-3H3,(H,28,29)