ethylazanium; 2-oxidanylethanoate; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: ethylazanium; 2-oxidanylethanoate; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: ethylammonium; 2-hydroxyacetate; 4-hydroxy-4-oxo-butanoate CAS Name: ethylammonium; 2-hydroxyacetate; 4-hydroxy-4-oxobutanoate IUPAC Name: ethylazanium; 2-hydroxyacetate; 4-hydroxy-4-oxobutanoate Traditional Name: ethylammonium; glycolate; 4-hydroxy-4-keto-butyrate Formula: C24H48N3O21-3 MolecularWeight: 714.64542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH3+].CC[NH3+].CC[NH3+].C(CC(=O)[O-])C(=O)O.C(CC(=O)[O-])C(=O)O.C(CC(=O)[O-])C(=O)O.C(C(=O)[O-])O.C(C(=O)[O-])O.C(C(=O)[O-])O

Isomeric SMILES

CC[NH3+].CC[NH3+].CC[NH3+].C(CC(=O)[O-])C(=O)O.C(CC(=O)[O-])C(=O)O.C(CC(=O)[O-])C(=O)O.C(C(=O)[O-])O.C(C(=O)[O-])O.C(C(=O)[O-])O

InChI

InChI=1S/3C4H6O4.3C2H7N.3C2H4O3/c3*5-3(6)1-2-4(7)8;3*1-2-3;3*3-1-2(4)5/h3*1-2H2,(H,5,6)(H,7,8);3*2-3H2,1H3;3*3H,1H2,(H,4,5)/p-3