cyanomethyl phosphate; tetrabutylazanium

Systemtic Name: cyanomethyl phosphate; tetrabutylazanium Openeye Name: cyanomethyl phosphate; tetrabutylammonium CAS Name: cyanomethyl phosphate; tetrabutylammonium IUPAC Name: cyanomethyl phosphate; tetrabutylazanium Traditional Name: cyanomethyl phosphate; tetrabutylammonium Formula: C34H74N3O4P MolecularWeight: 619.942821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C(C#N)OP(=O)([O-])[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C(C#N)OP(=O)([O-])[O-]

InChI

InChI=1S/2C16H36N.C2H4NO4P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1-2-7-8(4,5)6/h2*5-16H2,1-4H3;2H2,(H2,4,5,6)/q2*+1;/p-2