pentapotassium 3-(1,1-diphosphonatoethylamino)propanoate

Systemtic Name: pentapotassium 3-(1,1-diphosphonatoethylamino)propanoate Openeye Name: pentapotassium 3-(1,1-diphosphonatoethylamino)propanoate CAS Name: pentapotassium 3-(1,1-diphosphonatoethylamino)propanoate IUPAC Name: pentapotassium 3-(1,1-diphosphonatoethylamino)propanoate Traditional Name: pentapotassium 3-(1,1-diphosphonatoethylamino)propionate Formula: C5H8K5NO8P2 MolecularWeight: 467.557942

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCC(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

CC(NCCC(=O)[O-])(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C5H13NO8P2.5K/c1-5(15(9,10)11,16(12,13)14)6-3-2-4(7)8;;;;;/h6H,2-3H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14);;;;;/q;5*+1/p-5