6,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)heptanoic acid

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)heptanoic acid Openeye Name: 2-benzyl-6,6-dimethyl-4-oxo-heptanoic acid CAS Name: 6,6-dimethyl-4-oxo-2-(phenylmethyl)heptanoic acid IUPAC Name: 2-benzyl-6,6-dimethyl-4-oxoheptanoic acid Traditional Name: 2-benzyl-4-keto-6,6-dimethyl-enanthic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-16(2,3)11-14(17)10-13(15(18)19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,19)