sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate

Systemtic Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate Openeye Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate CAS Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate IUPAC Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate Traditional Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl hydrogen phosphate Formula: C6H17NNaO12P3 MolecularWeight: 411.109733

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)[O-].[Na+]

Isomeric SMILES

C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C6H18NO12P3.Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);/q;+1/p-1