2,6-bis(azanyl)hexanoic acid; 1-chloranylheptadecan-3-one

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 1-chloranylheptadecan-3-one Openeye Name: 1-chloroheptadecan-3-one; 2,6-diaminohexanoic acid CAS Name: 1-chloro-3-heptadecanone; 2,6-diaminohexanoic acid IUPAC Name: 1-chloroheptadecan-3-one; 2,6-diaminohexanoic acid Traditional Name: 1-chloroheptadecan-3-one; 2,6-diaminohexanoic acid Formula: C23H47ClN2O3 MolecularWeight: 435.08388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)CCCl.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)CCCl.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C17H33ClO.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18;7-4-2-1-3-5(8)6(9)10/h2-16H2,1H3;5H,1-4,7-8H2,(H,9,10)