2-[[4-[5-methyl-5-(3-methyl-4-oxidanyl-phenyl)hexan-3-yl]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[5-methyl-5-(3-methyl-4-oxidanyl-phenyl)hexan-3-yl]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[1-ethyl-3-(4-hydroxy-3-methyl-phenyl)-3-methyl-butyl]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[5-(4-hydroxy-3-methylphenyl)-5-methylhexan-3-yl]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[5-(4-hydroxy-3-methylphenyl)-5-methylhexan-3-yl]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[1-ethyl-3-(4-hydroxy-3-methyl-phenyl)-3-methyl-butyl]benzyl]malonic acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C1=CC(=C(C=C1)O)C)C2=CC=C(C=C2)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC(C)(C)C1=CC(=C(C=C1)O)C)C2=CC=C(C=C2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C24H30O5/c1-5-17(14-24(3,4)19-10-11-21(25)15(2)12-19)18-8-6-16(7-9-18)13-20(22(26)27)23(28)29/h6-12,17,20,25H,5,13-14H2,1-4H3,(H,26,27)(H,28,29)