ethyl carbonate; 9-octylheptadecan-9-ylazanium

Systemtic Name: ethyl carbonate; 9-octylheptadecan-9-ylazanium Openeye Name: 1,1-dioctylnonylammonium; ethyl carbonate CAS Name: ethyl carbonate; 9-octylheptadecan-9-ylammonium IUPAC Name: ethyl carbonate; 9-octylheptadecan-9-ylazanium Traditional Name: 1,1-dioctylnonylammonium; ethyl carbonate Formula: C28H59NO3 MolecularWeight: 457.77296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].CCOC(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].CCOC(=O)[O-]

InChI

InChI=1S/C25H53N.C3H6O3/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2-6-3(4)5/h4-24,26H2,1-3H3;2H2,1H3,(H,4,5)