2-oxidanyl-2-oxidanylidene-ethanoate; trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-6-(trimethylazaniumyl)hexan-2-yl]azanium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-6-(trimethylazaniumyl)hexan-2-yl]azanium Openeye Name: [(1S)-1-carboxy-5-(trimethylammonio)pentyl]-trimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; [(2S)-1-hydroxy-1-oxo-6-(trimethylammonio)hexan-2-yl]-trimethylammonium IUPAC Name: 2-hydroxy-2-oxoacetate; [(2S)-1-hydroxy-1-oxo-6-(trimethylazaniumyl)hexan-2-yl]-trimethylazanium Traditional Name: [(1S)-1-carboxy-5-(trimethylammonio)pentyl]-trimethyl-ammonium dibinoxalate Formula: C16H30N2O10 MolecularWeight: 410.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCC(C(=O)O)[N+](C)(C)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C12H27N2O2.2C2H2O4/c1-13(2,3)10-8-7-9-11(12(15)16)14(4,5)6;2*3-1(4)2(5)6/h11H,7-10H2,1-6H3;2*(H,3,4)(H,5,6)/q+1;;/p-1/t11-;;/m0../s1