bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate; ethane-1,1,2-triamine

Systemtic Name: bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate; ethane-1,1,2-triamine Openeye Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; ethane-1,1,2-triamine CAS Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; ethane-1,1,2-triamine IUPAC Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; ethane-1,1,2-triamine Traditional Name: bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate; 1,2-diaminoethylamine Formula: C2H16N3O16P5 MolecularWeight: 493.027745

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Descriptors Computed from Structure

Canonical SMILES:

C(C(N)N)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C(C(N)N)N.OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C2H9N3.H7O16P5/c3-1-2(4)5;1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h2H,1,3-5H2;(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)