[phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid

Systemtic Name: [phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid Openeye Name: [phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid CAS Name: [phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid IUPAC Name: [phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid Traditional Name: [phosphono(1,4,7,10-tetrazacyclododec-1-yl)methyl]phosphonic acid Formula: C9H24N4O6P2 MolecularWeight: 346.257582

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H24N4O6P2/c14-20(15,16)9(21(17,18)19)13-7-5-11-3-1-10-2-4-12-6-8-13/h9-12H,1-8H2,(H2,14,15,16)(H2,17,18,19)