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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; decanoate Openeye Name: decanoate; 2,6-diaminohexanoic acid CAS Name: decanoate; 2,6-diaminohexanoic acid IUPAC Name: decanoate; 2,6-diaminohexanoic acid Traditional Name: caprate; 2,6-diaminohexanoic acid Formula: C16H33N2O4- MolecularWeight: 317.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10(11)12;7-4-2-1-3-5(8)6(9)10/h2-9H2,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)/p-1