7-methyl-2-(3-methylbutyl)octanoic acid

Systemtic Name: 7-methyl-2-(3-methylbutyl)octanoic acid Openeye Name: 2-isopentyl-7-methyl-octanoic acid CAS Name: 7-methyl-2-(3-methylbutyl)octanoic acid IUPAC Name: 7-methyl-2-(3-methylbutyl)octanoic acid Traditional Name: 2-isoamyl-7-methyl-caprylic acid Formula: C14H28O2 MolecularWeight: 228.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(CCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCC(CCC(C)C)C(=O)O

InChI

InChI=1S/C14H28O2/c1-11(2)7-5-6-8-13(14(15)16)10-9-12(3)4/h11-13H,5-10H2,1-4H3,(H,15,16)