[bis(2-carboxyethyl)amino]-dimethyl-azanium sulfate

Systemtic Name: [bis(2-carboxyethyl)amino]-dimethyl-azanium sulfate Openeye Name: [bis(2-carboxyethyl)amino]-dimethyl-ammonium sulfate CAS Name: [bis(2-carboxyethyl)amino]-dimethylammonium sulfate IUPAC Name: [bis(2-carboxyethyl)amino]-dimethylazanium sulfate Traditional Name: [bis(2-carboxyethyl)amino]-dimethyl-ammonium sulfate Formula: C16H34N4O12S MolecularWeight: 506.52576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)N(CCC(=O)O)CCC(=O)O.C[NH+](C)N(CCC(=O)O)CCC(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[NH+](C)N(CCC(=O)O)CCC(=O)O.C[NH+](C)N(CCC(=O)O)CCC(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H16N2O4.H2O4S/c2*1-9(2)10(5-3-7(11)12)6-4-8(13)14;1-5(2,3)4/h2*3-6H2,1-2H3,(H,11,12)(H,13,14);(H2,1,2,3,4)