3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione; ethane-1,2-diamine; 5-phosphonopentylphosphonic acid

Systemtic Name: 3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione; ethane-1,2-diamine; 5-phosphonopentylphosphonic acid Openeye Name: 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; ethane-1,2-diamine; 5-phosphonopentylphosphonic acid CAS Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; ethane-1,2-diamine; 5-phosphonopentylphosphonic acid IUPAC Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; ethane-1,2-diamine; 5-phosphonopentylphosphonic acid Traditional Name: 2-aminoethylamine; 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; 5-phosphonopentylphosphonic acid Formula: C17H38N4O10P2 MolecularWeight: 520.451942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C(CCP(=O)(O)O)CCP(=O)(O)O.C(CN)N

Isomeric SMILES

CC(=O)C(C(=O)C)(C(C(=O)C)(C(=O)C)N)N.C(CCP(=O)(O)O)CCP(=O)(O)O.C(CN)N

InChI

InChI=1S/C10H16N2O4.C5H14O6P2.C2H8N2/c1-5(13)9(11,6(2)14)10(12,7(3)15)8(4)16;6-12(7,8)4-2-1-3-5-13(9,10)11;3-1-2-4/h11-12H2,1-4H3;1-5H2,(H2,6,7,8)(H2,9,10,11);1-4H2