(E)-18-[2-azanylethyl-[(E)-18-octoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-octoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-octoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-octoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-octoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-keto-18-octoxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C46H88N2O4 MolecularWeight: 733.20192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CCN

InChI

InChI=1S/C46H88N2O4/c1-2-3-4-5-32-37-44-52-46(51)39-34-29-25-21-17-13-9-7-11-15-19-23-27-31-36-42-48(43-40-47)41-35-30-26-22-18-14-10-6-8-12-16-20-24-28-33-38-45(49)50/h6-9H,2-5,10-44,47H2,1H3,(H,49,50)/b8-6+,9-7+