3-methyl-2-oxidanylidene-3-phenyl-nonanoic acid

Systemtic Name: 3-methyl-2-oxidanylidene-3-phenyl-nonanoic acid Openeye Name: 3-methyl-2-oxo-3-phenyl-nonanoic acid CAS Name: 3-methyl-2-oxo-3-phenylnonanoic acid IUPAC Name: 3-methyl-2-oxo-3-phenylnonanoic acid Traditional Name: 2-keto-3-methyl-3-phenyl-pelargonic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-3-4-5-9-12-16(2,14(17)15(18)19)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,18,19)