tris[2-[(E)-octadec-9-enoyl]oxyethyl]azanium ethanoate

Systemtic Name: tris[2-[(E)-octadec-9-enoyl]oxyethyl]azanium ethanoate Openeye Name: tris[2-[(E)-octadec-9-enoyl]oxyethyl]ammonium acetate CAS Name: tris[2-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium acetate IUPAC Name: tris[2-[(E)-octadec-9-enoyl]oxyethyl]azanium acetate Traditional Name: tris[2-[(E)-octadec-9-enoyl]oxyethyl]ammonium acetate Formula: C62H115NO8 MolecularWeight: 1002.5784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCOC(=O)CCCCCCC/C=C/CCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C60H111NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h25-30H,4-24,31-57H2,1-3H3;1H3,(H,3,4)/b28-25+,29-26+,30-27+;