(2,3-dimethyl-3-oxidanyl-butan-2-yl)azanium; octanoate

Systemtic Name: (2,3-dimethyl-3-oxidanyl-butan-2-yl)azanium; octanoate Openeye Name: (2-hydroxy-1,1,2-trimethyl-propyl)ammonium; octanoate CAS Name: (3-hydroxy-2,3-dimethylbutan-2-yl)ammonium; octanoate IUPAC Name: (3-hydroxy-2,3-dimethylbutan-2-yl)azanium; octanoate Traditional Name: caprylate; (2-hydroxy-1,1,2-trimethyl-propyl)ammonium Formula: C14H31NO3 MolecularWeight: 261.40084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CC(C)(C(C)(C)O)[NH3+]

Isomeric SMILES

CCCCCCCC(=O)[O-].CC(C)(C(C)(C)O)[NH3+]

InChI

InChI=1S/C8H16O2.C6H15NO/c1-2-3-4-5-6-7-8(9)10;1-5(2,7)6(3,4)8/h2-7H2,1H3,(H,9,10);8H,7H2,1-4H3