[[(Z)-2-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidanidyl-phosphoryl] phosphate; tetrabutylazanium

Systemtic Name: [[(Z)-2-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidanidyl-phosphoryl] phosphate; tetrabutylazanium Openeye Name: [[(Z)-2-methyl-4-tetrahydropyran-2-yloxy-but-2-enoxy]-oxido-phosphoryl] phosphate; tetrabutylammonium CAS Name: [[(Z)-2-methyl-4-(2-oxanyloxy)but-2-enoxy]-oxidophosphoryl] phosphate; tetrabutylammonium IUPAC Name: [[(Z)-2-methyl-4-(oxan-2-yloxy)but-2-enoxy]-oxidophosphoryl] phosphate; tetrabutylazanium Traditional Name: [[(Z)-2-methyl-4-tetrahydropyran-2-yloxy-but-2-enoxy]-oxido-phosphoryl] phosphate; tetrabutylammonium Formula: C58H125N3O9P2 MolecularWeight: 1070.575322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC(=CCOC1CCCCO1)COP(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C/C(=C/COC1CCCCO1)/COP(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/3C16H36N.C10H20O9P2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(5-7-17-10-4-2-3-6-16-10)8-18-21(14,15)19-20(11,12)13/h3*5-16H2,1-4H3;5,10H,2-4,6-8H2,1H3,(H,14,15)(H2,11,12,13)/q3*+1;/p-3/b;;;9-5-