sodium 1,3,3-triphosphonopropylphosphonic acid

Systemtic Name: sodium 1,3,3-triphosphonopropylphosphonic acid Openeye Name: sodium 1,3,3-triphosphonopropylphosphonic acid CAS Name: sodium 1,3,3-triphosphonopropylphosphonic acid IUPAC Name: sodium 1,3,3-triphosphonopropylphosphonic acid Traditional Name: sodium 1,3,3-triphosphonopropylphosphonic acid Formula: C3H12NaO12P4+ MolecularWeight: 387.004994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H12O12P4.Na/c4-16(5,6)2(17(7,8)9)1-3(18(10,11)12)19(13,14)15;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15);/q;+1