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

Systemtic Name: 2-[(3-butyl-4-methyl-5-oxidanyl-phenyl)methyl]propanedioic acid Openeye Name: 2-[(3-butyl-5-hydroxy-4-methyl-phenyl)methyl]propanedioic acid CAS Name: 2-[(3-butyl-5-hydroxy-4-methylphenyl)methyl]propanedioic acid IUPAC Name: 2-[(3-butyl-5-hydroxy-4-methylphenyl)methyl]propanedioic acid Traditional Name: 2-(3-butyl-5-hydroxy-4-methyl-benzyl)malonic acid Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)CC(C(=O)O)C(=O)O)O)C

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)CC(C(=O)O)C(=O)O)O)C

InChI

InChI=1S/C15H20O5/c1-3-4-5-11-6-10(8-13(16)9(11)2)7-12(14(17)18)15(19)20/h6,8,12,16H,3-5,7H2,1-2H3,(H,17,18)(H,19,20)