[5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid

Systemtic Name: [5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid Openeye Name: [5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid CAS Name: [5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid IUPAC Name: [5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid Traditional Name: [5,9-bis(phosphonomethyl)-1,5,9-triazacyclododec-1-yl]methylphosphonic acid Formula: C12H30N3O9P3 MolecularWeight: 453.302583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCN(CCCN(C1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1CN(CCCN(CCCN(C1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C12H30N3O9P3/c16-25(17,18)10-13-4-1-5-14(11-26(19,20)21)7-3-9-15(8-2-6-13)12-27(22,23)24/h1-12H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)