(1E,3E)-5-oxidanylidenepenta-1,3-dien-1-olate; tetrabutylazanium; hydrate

Systemtic Name: (1E,3E)-5-oxidanylidenepenta-1,3-dien-1-olate; tetrabutylazanium; hydrate Openeye Name: (1E,3E)-5-oxopenta-1,3-dien-1-olate; tetrabutylammonium; hydrate CAS Name: (1E,3E)-5-oxo-1-penta-1,3-dienolate; tetrabutylammonium; hydrate IUPAC Name: (1E,3E)-5-oxopenta-1,3-dien-1-olate; tetrabutylazanium; hydrate Traditional Name: (1E,3E)-5-ketopenta-1,3-dien-1-olate; tetrabutylammonium; hydrate Formula: C21H43NO3 MolecularWeight: 357.57102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C(=C/C=O)\C=C\[O-].O

InChI

InChI=1S/C16H36N.C5H6O2.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-4-2-1-3-5-7;/h5-16H2,1-4H3;1-6H;1H2/q+1;;/p-1/b;3-1+,4-2+;