dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium

Systemtic Name: dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium Openeye Name: dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium CAS Name: dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium IUPAC Name: dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium Traditional Name: dihydrogen phosphate; 2-(4,4-diphenylbutyl)-3-heptyl-1H-imidazol-3-ium Formula: C26H37N2O4P MolecularWeight: 472.556741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(NC=C1)CCCC(C2=CC=CC=C2)C3=CC=CC=C3.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=C(NC=C1)CCCC(C2=CC=CC=C2)C3=CC=CC=C3.OP(=O)(O)[O-]

InChI

InChI=1S/C26H34N2.H3O4P/c1-2-3-4-5-12-21-28-22-20-27-26(28)19-13-18-25(23-14-8-6-9-15-23)24-16-10-7-11-17-24;1-5(2,3)4/h6-11,14-17,20,22,25H,2-5,12-13,18-19,21H2,1H3;(H3,1,2,3,4)