tetrabutylazanium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: tetrabutylazanium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: tetrabutylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: tetrabutylammonium; 3,4,5-trihydroxy-1-cyclohexenecarboxylate IUPAC Name: tetrabutylazanium; 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: tetrabutylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate Formula: C23H45NO5 MolecularWeight: 415.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C16H36N.C7H10O5/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-4-1-3(7(11)12)2-5(9)6(4)10/h5-16H2,1-4H3;1,4-6,8-10H,2H2,(H,11,12)/q+1;/p-1