azanyl-(3-carboxy-4-ethoxy-1-oxidanyl-1-oxidanylidene-hexan-3-yl)-bis(carboxymethyl)azanium

Systemtic Name: azanyl-(3-carboxy-4-ethoxy-1-oxidanyl-1-oxidanylidene-hexan-3-yl)-bis(carboxymethyl)azanium Openeye Name: amino-[1-carboxy-1-(carboxymethyl)-2-ethoxy-butyl]-bis(carboxymethyl)ammonium CAS Name: amino-(3-carboxy-4-ethoxy-1-hydroxy-1-oxohexan-3-yl)-bis(carboxymethyl)ammonium IUPAC Name: amino-(3-carboxy-4-ethoxy-1-hydroxy-1-oxohexan-3-yl)-bis(carboxymethyl)azanium Traditional Name: amino-[1-carboxy-1-(carboxymethyl)-2-ethoxy-butyl]-bis(carboxymethyl)ammonium Formula: C13H23N2O9+ MolecularWeight: 351.32972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)(C(=O)O)[N+](CC(=O)O)(CC(=O)O)N)OCC

Isomeric SMILES

CCC(C(CC(=O)O)(C(=O)O)[N+](CC(=O)O)(CC(=O)O)N)OCC

InChI

InChI=1S/C13H22N2O9/c1-3-8(24-4-2)13(12(22)23,5-9(16)17)15(14,6-10(18)19)7-11(20)21/h8H,3-7,14H2,1-2H3,(H3-,16,17,18,19,20,21,22,23)/p+1