2-undecyl-1H-imidazol-1-ium phosphate

Systemtic Name: 2-undecyl-1H-imidazol-1-ium phosphate Openeye Name: 2-undecyl-1H-imidazol-1-ium phosphate CAS Name: 2-undecyl-1H-imidazol-1-ium phosphate IUPAC Name: 2-undecyl-1H-imidazol-1-ium phosphate Traditional Name: 2-undecyl-1H-imidazol-1-ium phosphate Formula: C42H81N6O4P MolecularWeight: 765.104101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCC1=NC=C[NH2+]1.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCC1=NC=C[NH2+]1.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C14H26N2.H3O4P/c3*1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14;1-5(2,3)4/h3*12-13H,2-11H2,1H3,(H,15,16);(H3,1,2,3,4)