5-methyl-2-oxidanylidene-3-phenyl-hexanoic acid

Systemtic Name: 5-methyl-2-oxidanylidene-3-phenyl-hexanoic acid Openeye Name: 5-methyl-2-oxo-3-phenyl-hexanoic acid CAS Name: 5-methyl-2-oxo-3-phenylhexanoic acid IUPAC Name: 5-methyl-2-oxo-3-phenylhexanoic acid Traditional Name: 2-keto-5-methyl-3-phenyl-hexanoic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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