[4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid

Systemtic Name: [4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid Openeye Name: [4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid CAS Name: [4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid IUPAC Name: [4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid Traditional Name: [4-phosphono-1-(1,2,3,4-tetrazacyclododec-7-yl)butyl]phosphonic acid Formula: C12H30N4O6P2 MolecularWeight: 388.337322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CCNNNNCC1)C(CCCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC(CCNNNNCC1)C(CCCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H30N4O6P2/c17-23(18,19)10-4-6-12(24(20,21)22)11-5-2-1-3-8-13-15-16-14-9-7-11/h11-16H,1-10H2,(H2,17,18,19)(H2,20,21,22)