2,6-bis(azanyl)hexanoic acid; octanoate

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; octanoate Openeye Name: 2,6-diaminohexanoic acid; octanoate CAS Name: 2,6-diaminohexanoic acid; octanoate IUPAC Name: 2,6-diaminohexanoic acid; octanoate Traditional Name: caprylate; 2,6-diaminohexanoic acid Formula: C14H29N2O4- MolecularWeight: 289.39106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCC(=O)[O-].C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C8H16O2.C6H14N2O2/c1-2-3-4-5-6-7-8(9)10;7-4-2-1-3-5(8)6(9)10/h2-7H2,1H3,(H,9,10);5H,1-4,7-8H2,(H,9,10)/p-1