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

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-dodecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-dodecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-dodecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-dodecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-keto-18-lauryloxy-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C50H96N2O4 MolecularWeight: 789.30824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H96N2O4/c1-2-3-4-5-6-7-26-31-36-41-48-56-50(55)43-38-33-28-23-19-15-11-9-13-17-21-25-30-35-40-46-52(47-44-51)45-39-34-29-24-20-16-12-8-10-14-18-22-27-32-37-42-49(53)54/h8-11H,2-7,12-48,51H2,1H3,(H,53,54)/b10-8+,11-9+