5-(4-heptylphenyl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-heptylphenyl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-heptylphenyl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(4-heptylphenyl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(4-heptylphenyl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(4-heptylphenyl)-5-keto-3,3-dimethyl-valeric acid Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C20H30O3/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)18(21)14-20(2,3)15-19(22)23/h10-13H,4-9,14-15H2,1-3H3,(H,22,23)