[3-oxidanylidene-8-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-4-phosphono-octan-4-yl]phosphonic acid

Systemtic Name: [3-oxidanylidene-8-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-4-phosphono-octan-4-yl]phosphonic acid Openeye Name: [5-(1-benzyltriazol-4-yl)-1-phosphono-1-propanoyl-pentyl]phosphonic acid CAS Name: [3-oxo-8-[1-(phenylmethyl)-4-triazolyl]-4-phosphonooctan-4-yl]phosphonic acid IUPAC Name: [8-(1-benzyltriazol-4-yl)-3-oxo-4-phosphonooctan-4-yl]phosphonic acid Traditional Name: [5-(1-benzyltriazol-4-yl)-1-phosphono-1-propionyl-pentyl]phosphonic acid Formula: C17H25N3O7P2 MolecularWeight: 445.343822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCC1=CN(N=N1)CC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(=O)C(CCCCC1=CN(N=N1)CC2=CC=CC=C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H25N3O7P2/c1-2-16(21)17(28(22,23)24,29(25,26)27)11-7-6-10-15-13-20(19-18-15)12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H2,22,23,24)(H2,25,26,27)