sodium 2,4,4-triphosphonobutanoate

Systemtic Name: sodium 2,4,4-triphosphonobutanoate Openeye Name: sodium 2,4,4-triphosphonobutanoate CAS Name: sodium 2,4,4-triphosphonobutanoate IUPAC Name: sodium 2,4,4-triphosphonobutanoate Traditional Name: sodium 2,4,4-triphosphonobutyrate Formula: C4H10NaO11P3 MolecularWeight: 350.026653

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O.[Na+]

Isomeric SMILES

C(C(C(=O)[O-])P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O.[Na+]

InChI

InChI=1S/C4H11O11P3.Na/c5-4(6)2(16(7,8)9)1-3(17(10,11)12)18(13,14)15;/h2-3H,1H2,(H,5,6)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15);/q;+1/p-1