hexasodium; 2-azanylethanol; 2-[bis[2-[oxidanidyl(oxidanyl)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate

Systemtic Name: hexasodium; 2-azanylethanol; 2-[bis[2-[oxidanidyl(oxidanyl)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate Openeye Name: hexasodium; 2-aminoethanol; 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate CAS Name: hexasodium; 2-aminoethanol; 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate IUPAC Name: hexasodium; 2-aminoethanol; 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate Traditional Name: hexasodium; 2-aminoethanol; 2-[bis[2-[hydroxy(oxido)phosphoryl]oxyethyl]amino]ethyl hydrogen phosphate Formula: C18H51N5Na6O27P6 MolecularWeight: 1093.396026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H18NO12P3.3C2H7NO.6Na/c2*8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;3*3-1-2-4;;;;;;/h2*1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);3*4H,1-3H2;;;;;;/q;;;;;6*+1/p-6