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

Systemtic Name: [4-phosphono-1-(1,4,7,10-tetrazacyclododec-1-yl)butyl]phosphonic acid Openeye Name: [4-phosphono-1-(1,4,7,10-tetrazacyclododec-1-yl)butyl]phosphonic acid CAS Name: [4-phosphono-1-(1,4,7,10-tetrazacyclododec-1-yl)butyl]phosphonic acid IUPAC Name: [4-phosphono-1-(1,4,7,10-tetrazacyclododec-1-yl)butyl]phosphonic acid Traditional Name: [4-phosphono-1-(1,4,7,10-tetrazacyclododec-1-yl)butyl]phosphonic acid Formula: C12H30N4O6P2 MolecularWeight: 388.337322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H30N4O6P2/c17-23(18,19)11-1-2-12(24(20,21)22)16-9-7-14-5-3-13-4-6-15-8-10-16/h12-15H,1-11H2,(H2,17,18,19)(H2,20,21,22)