1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid

Systemtic Name: 1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid Openeye Name: 1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid CAS Name: 1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid IUPAC Name: 1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid Traditional Name: 1,4,7,10,13-pentaoxa-2-azacyclopentadecane; phosphonomethylphosphonic acid Formula: C14H49NO35P10 MolecularWeight: 1101.26217

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCNOCCOCCO1.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1COCCOCNOCCOCCO1.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H19NO5.5CH6O6P2/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;5*2-8(3,4)1-9(5,6)7/h10H,1-9H2;5*1H2,(H2,2,3,4)(H2,5,6,7)