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

Systemtic Name: diethylazanium; 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: diethylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: diethylammonium; 3,4,5-trihydroxy-1-cyclohexenecarboxylate IUPAC Name: diethylazanium; 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: diethylammonium; 3,4,5-trihydroxycyclohexene-1-carboxylate Formula: C11H21NO5 MolecularWeight: 247.28814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.C1C(C(C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CC[NH2+]CC.C1C(C(C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C7H10O5.C4H11N/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-3-5-4-2/h1,4-6,8-10H,2H2,(H,11,12);5H,3-4H2,1-2H3