dihydrogen phosphate; 2-heptadecyl-3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: dihydrogen phosphate; 2-heptadecyl-3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium Openeye Name: dihydrogen phosphate; 2-heptadecyl-3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium CAS Name: dihydrogen phosphate; 2-heptadecyl-3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: dihydrogen phosphate; 2-heptadecyl-3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)ethyl]-4,5-dihydro-1H-imidazol-3-ium Traditional Name: dihydrogen phosphate; 2-heptadecyl-1-[2-(2-heptadecyl-2-imidazolin-1-ium-1-yl)ethyl]-2-imidazolin-1-ium Formula: C42H88N4O8P2 MolecularWeight: 839.117642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)CC[N+]2=C(NCC2)CCCCCCCCCCCCCCCCC.OP(=O)(O)[O-].OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[N+](CCN1)CC[N+]2=C(NCC2)CCCCCCCCCCCCCCCCC.OP(=O)(O)[O-].OP(=O)(O)[O-]

InChI

InChI=1S/C42H82N4.2H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2*1-5(2,3)4/h3-40H2,1-2H3;2*(H3,1,2,3,4)