3-(2,3-diethylphenoxy)-3-oxidanylidene-propanoate; tetrabutylazanium

Systemtic Name: 3-(2,3-diethylphenoxy)-3-oxidanylidene-propanoate; tetrabutylazanium Openeye Name: 3-(2,3-diethylphenoxy)-3-oxo-propanoate; tetrabutylammonium CAS Name: 3-(2,3-diethylphenoxy)-3-oxopropanoate; tetrabutylammonium IUPAC Name: 3-(2,3-diethylphenoxy)-3-oxopropanoate; tetrabutylazanium Traditional Name: 3-(2,3-diethylphenoxy)-3-keto-propionate; tetrabutylammonium Formula: C29H51NO4 MolecularWeight: 477.71954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCC1=C(C(=CC=C1)OC(=O)CC(=O)[O-])CC

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCC1=C(C(=CC=C1)OC(=O)CC(=O)[O-])CC

InChI

InChI=1S/C16H36N.C13H16O4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-9-6-5-7-11(10(9)4-2)17-13(16)8-12(14)15/h5-16H2,1-4H3;5-7H,3-4,8H2,1-2H3,(H,14,15)/q+1;/p-1