[5-(2-methyl-3H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(2-methyl-3H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-hydroxy-5-(2-methyl-3H-benzimidazol-5-yl)-1-phosphono-pentyl]phosphonic acid CAS Name: [1-hydroxy-5-(2-methyl-3H-benzimidazol-5-yl)-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-hydroxy-5-(2-methyl-3H-benzimidazol-5-yl)-1-phosphonopentyl]phosphonic acid Traditional Name: [1-hydroxy-5-(2-methyl-3H-benzimidazol-5-yl)-1-phosphono-pentyl]phosphonic acid Formula: C13H20N2O7P2 MolecularWeight: 378.254622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H20N2O7P2/c1-9-14-11-6-5-10(8-12(11)15-9)4-2-3-7-13(16,23(17,18)19)24(20,21)22/h5-6,8,16H,2-4,7H2,1H3,(H,14,15)(H2,17,18,19)(H2,20,21,22)