4,6-bis(oxidanylidene)-1H-1,3,5-triazin-2-olate; 9-octylheptadecan-9-ylazanium

Systemtic Name: 4,6-bis(oxidanylidene)-1H-1,3,5-triazin-2-olate; 9-octylheptadecan-9-ylazanium Openeye Name: 1,1-dioctylnonylammonium; 4,6-dioxo-1H-1,3,5-triazin-2-olate CAS Name: 4,6-dioxo-1H-1,3,5-triazin-2-olate; 9-octylheptadecan-9-ylammonium IUPAC Name: 4,6-dioxo-1H-1,3,5-triazin-2-olate; 9-octylheptadecan-9-ylazanium Traditional Name: 4,6-diketo-1H-s-triazin-2-olate; 1,1-dioctylnonylammonium Formula: C28H56N4O3 MolecularWeight: 496.76924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].C1(=O)NC(=NC(=O)N1)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].C1(=O)NC(=NC(=O)N1)[O-]

InChI

InChI=1S/C25H53N.C3H3N3O3/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;7-1-4-2(8)6-3(9)5-1/h4-24,26H2,1-3H3;(H3,4,5,6,7,8,9)