5-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2,6-dimethylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2,6-dimethylphenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(2,6-dimethylphenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(2,6-dimethylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(2,6-dimethylphenyl)-5-keto-3-methyl-valeric acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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