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

Systemtic Name: 3,4-bis(azanyl)-3,4-diethanoyl-hexane-2,5-dione; ethane-1,2-diamine; 4-phosphonobutylphosphonic acid Openeye Name: 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; ethane-1,2-diamine; 4-phosphonobutylphosphonic acid CAS Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; ethane-1,2-diamine; 4-phosphonobutylphosphonic acid IUPAC Name: 3,4-diacetyl-3,4-diaminohexane-2,5-dione; ethane-1,2-diamine; 4-phosphonobutylphosphonic acid Traditional Name: 2-aminoethylamine; 3,4-diacetyl-3,4-diamino-hexane-2,5-dione; 4-phosphonobutylphosphonic acid Formula: C16H36N4O10P2 MolecularWeight: 506.425362

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

InChI

InChI=1S/C10H16N2O4.C4H12O6P2.C2H8N2/c1-5(13)9(11,6(2)14)10(12,7(3)15)8(4)16;5-11(6,7)3-1-2-4-12(8,9)10;3-1-2-4/h11-12H2,1-4H3;1-4H2,(H2,5,6,7)(H2,8,9,10);1-4H2