(2S)-5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoic acid

Systemtic Name: (2S)-5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoic acid Openeye Name: (2S)-2-benzyl-5,5-dimethyl-4-oxo-hexanoic acid CAS Name: (2S)-5,5-dimethyl-4-oxo-2-(phenylmethyl)hexanoic acid IUPAC Name: (2S)-2-benzyl-5,5-dimethyl-4-oxohexanoic acid Traditional Name: (2S)-2-benzyl-4-keto-5,5-dimethyl-hexanoic acid Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)C[C@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H20O3/c1-15(2,3)13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m0/s1