2-(2,2-diphosphonoethylamino)butanedioic acid tetrahydrate

Systemtic Name: 2-(2,2-diphosphonoethylamino)butanedioic acid tetrahydrate Openeye Name: 2-(2,2-diphosphonoethylamino)butanedioic acid tetrahydrate CAS Name: 2-(2,2-diphosphonoethylamino)butanedioic acid tetrahydrate IUPAC Name: 2-(2,2-diphosphonoethylamino)butanedioic acid tetrahydrate Traditional Name: 2-(2,2-diphosphonoethylamino)succinic acid tetrahydrate Formula: C6H21NO14P2 MolecularWeight: 393.176762

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.O.O.O.O

Isomeric SMILES

C(C(C(=O)O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.O.O.O.O

InChI

InChI=1S/C6H13NO10P2.4H2O/c8-4(9)1-3(6(10)11)7-2-5(18(12,13)14)19(15,16)17;;;;/h3,5,7H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17);4*1H2