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

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

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

Canonical SMILES:

CC(N1CCN(CCN(CC1)C(C)P(=O)(O)O)C(C)P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

CC(N1CCN(CCN(CC1)C(C)P(=O)(O)O)C(C)P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C12H30N3O9P3/c1-10(25(16,17)18)13-4-6-14(11(2)26(19,20)21)8-9-15(7-5-13)12(3)27(22,23)24/h10-12H,4-9H2,1-3H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)


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