2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid

Systemtic Name: 2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid Openeye Name: 2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid CAS Name: 2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid IUPAC Name: 2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid Traditional Name: 2-[4,7-bis(2-phosphonoethyl)-1,4,7-triazonan-1-yl]ethylphosphonic acid Formula: C12H30N3O9P3 MolecularWeight: 453.302583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O

Isomeric SMILES

C1CN(CCN(CCN1CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O

InChI

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