[1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid

Systemtic Name: [1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid Openeye Name: [1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid CAS Name: [1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid IUPAC Name: [1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid Traditional Name: [1,2-bis(phosphonomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methylphosphonic acid Formula: C11H29N4O9P3 MolecularWeight: 454.290643

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CNCCN(C(CNCCN1)(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C11H29N4O9P3/c16-25(17,18)8-11(9-26(19,20)21)7-14-4-3-12-1-2-13-5-6-15(11)10-27(22,23)24/h12-14H,1-10H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)