2-[3-methyl-3-(5-methyl-2-oxidanyl-phenyl)butyl]propanedioic acid

Systemtic Name: 2-[3-methyl-3-(5-methyl-2-oxidanyl-phenyl)butyl]propanedioic acid Openeye Name: 2-[3-(2-hydroxy-5-methyl-phenyl)-3-methyl-butyl]propanedioic acid CAS Name: 2-[3-(2-hydroxy-5-methylphenyl)-3-methylbutyl]propanedioic acid IUPAC Name: 2-[3-(2-hydroxy-5-methylphenyl)-3-methylbutyl]propanedioic acid Traditional Name: 2-[3-(2-hydroxy-5-methyl-phenyl)-3-methyl-butyl]malonic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)CCC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)CCC(C(=O)O)C(=O)O

InChI

InChI=1S/C15H20O5/c1-9-4-5-12(16)11(8-9)15(2,3)7-6-10(13(17)18)14(19)20/h4-5,8,10,16H,6-7H2,1-3H3,(H,17,18)(H,19,20)