5-(2,5-dimethylphenyl)-2-methyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2,5-dimethylphenyl)-2-methyl-4-oxidanylidene-pentanoic acid Openeye Name: 5-(2,5-dimethylphenyl)-2-methyl-4-oxo-pentanoic acid CAS Name: 5-(2,5-dimethylphenyl)-2-methyl-4-oxopentanoic acid IUPAC Name: 5-(2,5-dimethylphenyl)-2-methyl-4-oxopentanoic acid Traditional Name: 5-(2,5-dimethylphenyl)-4-keto-2-methyl-valeric acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-9-4-5-10(2)12(6-9)8-13(15)7-11(3)14(16)17/h4-6,11H,7-8H2,1-3H3,(H,16,17)