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

Systemtic Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate Openeye Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate CAS Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate IUPAC Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate Traditional Name: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate Formula: C6H18NNaO12P3+ MolecularWeight: 412.117673

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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