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

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

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

Canonical SMILES:

C1CNCC(N(CCN1)CCP(=O)(O)O)(CCP(=O)(O)O)CCP(=O)(O)O


Isomeric SMILES

C1CNCC(N(CCN1)CCP(=O)(O)O)(CCP(=O)(O)O)CCP(=O)(O)O


InChI

InChI=1S/C12H30N3O9P3/c16-25(17,18)8-1-12(2-9-26(19,20)21)11-14-4-3-13-5-6-15(12)7-10-27(22,23)24/h13-14H,1-11H2,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)


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