(E)-octadec-9-enoate; 1,1,2,2,3-pentaethoxyoctadecylazanium

Systemtic Name: (E)-octadec-9-enoate; 1,1,2,2,3-pentaethoxyoctadecylazanium Openeye Name: (E)-octadec-9-enoate; 1,1,2,2,3-pentaethoxyoctadecylammonium CAS Name: (E)-9-octadecenoate; 1,1,2,2,3-pentaethoxyoctadecylammonium IUPAC Name: (E)-octadec-9-enoate; 1,1,2,2,3-pentaethoxyoctadecylazanium Traditional Name: (E)-octadec-9-enoate; 1,1,2,2,3-pentaethoxyoctadecylammonium Formula: C46H93NO7 MolecularWeight: 772.23312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C28H59NO5.C18H34O2/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26(30-8-2)27(31-9-3,32-10-4)28(29,33-11-5)34-12-6;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h26H,7-25,29H2,1-6H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+