3-[4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-2-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-2-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid CAS Name: 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid Traditional Name: 3-[2-hydroxy-4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=C(C=C2)CCC(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC(=C(C=C2)CCC(=O)O)O

InChI

InChI=1S/C25H32O7/c1-16(2)14-22(27)20-9-10-23(17(3)25(20)30)32-13-5-4-12-31-19-8-6-18(21(26)15-19)7-11-24(28)29/h6,8-10,15-16,26,30H,4-5,7,11-14H2,1-3H3,(H,28,29)