ethane-1,2-diamine; phosphonomethylphosphonic acid; tetrahydrate

Systemtic Name: ethane-1,2-diamine; phosphonomethylphosphonic acid; tetrahydrate Openeye Name: ethane-1,2-diamine; phosphonomethylphosphonic acid; tetrahydrate CAS Name: ethane-1,2-diamine; phosphonomethylphosphonic acid; tetrahydrate IUPAC Name: ethane-1,2-diamine; phosphonomethylphosphonic acid; tetrahydrate Traditional Name: 2-aminoethylamine; phosphonomethylphosphonic acid; tetrahydrate Formula: C6H40N2O28P8 MolecularWeight: 836.168488

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.O.O.O.O

Isomeric SMILES

C(CN)N.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.O.O.O.O

InChI

InChI=1S/C2H8N2.4CH6O6P2.4H2O/c3-1-2-4;4*2-8(3,4)1-9(5,6)7;;;;/h1-4H2;4*1H2,(H2,2,3,4)(H2,5,6,7);4*1H2