3-(2,3-dimethylphenyl)octanoic acid

Systemtic Name: 3-(2,3-dimethylphenyl)octanoic acid Openeye Name: 3-(2,3-dimethylphenyl)octanoic acid CAS Name: 3-(2,3-dimethylphenyl)octanoic acid IUPAC Name: 3-(2,3-dimethylphenyl)octanoic acid Traditional Name: 3-(2,3-dimethylphenyl)caprylic acid Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=CC=CC(=C1C)C

Isomeric SMILES

CCCCCC(CC(=O)O)C1=CC=CC(=C1C)C

InChI

InChI=1S/C16H24O2/c1-4-5-6-9-14(11-16(17)18)15-10-7-8-12(2)13(15)3/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,17,18)