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

Systemtic Name: [3-(2-methyl-3H-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(2-methyl-3H-benzimidazol-5-yl)-1-phosphono-propyl]phosphonic acid Formula: C11H16N2O7P2 MolecularWeight: 350.201462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O7P2/c1-7-12-9-3-2-8(6-10(9)13-7)4-5-11(14,21(15,16)17)22(18,19)20/h2-3,6,14H,4-5H2,1H3,(H,12,13)(H2,15,16,17)(H2,18,19,20)