5-(3,5-dimethylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3,5-dimethylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,5-dimethylphenyl)-5-oxo-pentanoic acid CAS Name: 5-(3,5-dimethylphenyl)-5-oxopentanoic acid IUPAC Name: 5-(3,5-dimethylphenyl)-5-oxopentanoic acid Traditional Name: 5-(3,5-dimethylphenyl)-5-keto-valeric acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-9-6-10(2)8-11(7-9)12(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)