(E)-18-[3-[[(E)-18-oxidanidyl-18-oxidanylidene-octadec-9-enyl]amino]propylamino]octadec-9-enoate

Systemtic Name: (E)-18-[3-[[(E)-18-oxidanidyl-18-oxidanylidene-octadec-9-enyl]amino]propylamino]octadec-9-enoate Openeye Name: (E)-18-[3-[[(E)-18-oxido-18-oxo-octadec-9-enyl]amino]propylamino]octadec-9-enoate CAS Name: (E)-18-[3-[[(E)-18-oxido-18-oxooctadec-9-enyl]amino]propylamino]-9-octadecenoate IUPAC Name: (E)-18-[3-[[(E)-18-oxido-18-oxooctadec-9-enyl]amino]propylamino]octadec-9-enoate Traditional Name: (E)-18-[3-[[(E)-18-keto-18-oxido-octadec-9-enyl]amino]propylamino]octadec-9-enoate Formula: C39H72N2O4-2 MolecularWeight: 632.99998

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCNCCCNCCCCCCCCC=CCCCCCCCC(=O)[O-])CCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

C(CCC/C=C/CCCCCCCC(=O)[O-])CCCCNCCCNCCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C39H74N2O4/c42-38(43)32-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-34-40-36-31-37-41-35-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-33-39(44)45/h1-4,40-41H,5-37H2,(H,42,43)(H,44,45)/p-2/b3-1+,4-2+