[5-(1-methyl-1,2,3-triazol-4-yl)-1-phosphono-1-propanoyloxy-pentyl]phosphonic acid

Systemtic Name: [5-(1-methyl-1,2,3-triazol-4-yl)-1-phosphono-1-propanoyloxy-pentyl]phosphonic acid Openeye Name: [5-(1-methyltriazol-4-yl)-1-phosphono-1-propanoyloxy-pentyl]phosphonic acid CAS Name: [5-(1-methyl-4-triazolyl)-1-(1-oxopropoxy)-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(1-methyltriazol-4-yl)-1-phosphono-1-propanoyloxypentyl]phosphonic acid Traditional Name: [5-(1-methyltriazol-4-yl)-1-phosphono-1-propionyloxy-pentyl]phosphonic acid Formula: C11H21N3O8P2 MolecularWeight: 385.247262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CCCCC1=CN(N=N1)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(=O)OC(CCCCC1=CN(N=N1)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H21N3O8P2/c1-3-10(15)22-11(23(16,17)18,24(19,20)21)7-5-4-6-9-8-14(2)13-12-9/h8H,3-7H2,1-2H3,(H2,16,17,18)(H2,19,20,21)