12-[2-azanylethyl-(12-hexadecoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid

Systemtic Name: 12-[2-azanylethyl-(12-hexadecoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminoethyl-(12-hexadecoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminoethyl-(12-hexadecoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminoethyl-(12-hexadecoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminoethyl-(12-cetyloxy-12-keto-dodecyl)amino]lauric acid Formula: C42H84N2O4 MolecularWeight: 681.12736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CCN

InChI

InChI=1S/C42H84N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-23-28-33-40-48-42(47)35-30-25-20-15-13-17-22-27-32-38-44(39-36-43)37-31-26-21-16-12-14-19-24-29-34-41(45)46/h2-40,43H2,1H3,(H,45,46)