3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane

Systemtic Name: 3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane Openeye Name: 3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane CAS Name: 3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane IUPAC Name: 3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane Traditional Name: 3-phosphonopropylphosphonic acid; 1,2,3,4-tetrazacyclododecane Formula: C11H30N4O6P2 MolecularWeight: 376.326622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCNNNNCCC1.C(CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CCCCNNNNCCC1.C(CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C8H20N4.C3H10O6P2/c1-2-4-6-8-10-12-11-9-7-5-3-1;4-10(5,6)2-1-3-11(7,8)9/h9-12H,1-8H2;1-3H2,(H2,4,5,6)(H2,7,8,9)