2-[2,2-bis(hydroxymethyl)butyl]octanoic acid

Systemtic Name: 2-[2,2-bis(hydroxymethyl)butyl]octanoic acid Openeye Name: 2-[2,2-bis(hydroxymethyl)butyl]octanoic acid CAS Name: 2-[2,2-bis(hydroxymethyl)butyl]octanoic acid IUPAC Name: 2-[2,2-bis(hydroxymethyl)butyl]octanoic acid Traditional Name: 2-(2,2-dimethylolbutyl)caprylic acid Formula: C14H28O4 MolecularWeight: 260.36972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(CC)(CO)CO)C(=O)O

Isomeric SMILES

CCCCCCC(CC(CC)(CO)CO)C(=O)O

InChI

InChI=1S/C14H28O4/c1-3-5-6-7-8-12(13(17)18)9-14(4-2,10-15)11-16/h12,15-16H,3-11H2,1-2H3,(H,17,18)