16-[2-azanylethyl-(16-hexadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylethyl-(16-hexadecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminoethyl-(16-hexadecoxy-16-oxo-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminoethyl-(16-hexadecoxy-16-oxohexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminoethyl-(16-hexadecoxy-16-oxohexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminoethyl-(16-cetyloxy-16-keto-hexadecyl)amino]palmitic acid Formula: C50H100N2O4 MolecularWeight: 793.34

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C50H100N2O4/c1-2-3-4-5-6-7-8-9-16-21-26-31-36-41-48-56-50(55)43-38-33-28-23-18-13-11-15-20-25-30-35-40-46-52(47-44-51)45-39-34-29-24-19-14-10-12-17-22-27-32-37-42-49(53)54/h2-48,51H2,1H3,(H,53,54)