4-butyl-2,2-diethyl-3-oxidanylidene-octanoic acid

Systemtic Name: 4-butyl-2,2-diethyl-3-oxidanylidene-octanoic acid Openeye Name: 4-butyl-2,2-diethyl-3-oxo-octanoic acid CAS Name: 4-butyl-2,2-diethyl-3-oxooctanoic acid IUPAC Name: 4-butyl-2,2-diethyl-3-oxooctanoic acid Traditional Name: 4-butyl-2,2-diethyl-3-keto-caprylic acid Formula: C16H30O3 MolecularWeight: 270.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)O

Isomeric SMILES

CCCCC(CCCC)C(=O)C(CC)(CC)C(=O)O

InChI

InChI=1S/C16H30O3/c1-5-9-11-13(12-10-6-2)14(17)16(7-3,8-4)15(18)19/h13H,5-12H2,1-4H3,(H,18,19)