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

Systemtic Name: 5-(2,4-dimethylphenyl)-4-oxidanylidene-pentanoic acid Openeye Name: 5-(2,4-dimethylphenyl)-4-oxo-pentanoic acid CAS Name: 5-(2,4-dimethylphenyl)-4-oxopentanoic acid IUPAC Name: 5-(2,4-dimethylphenyl)-4-oxopentanoic acid Traditional Name: 5-(2,4-dimethylphenyl)-4-keto-valeric acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-9-3-4-11(10(2)7-9)8-12(14)5-6-13(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)