[5-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [5-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [5-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [5-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [1-hydroxy-5-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-1-phosphono-pentyl]phosphonic acid Formula: C14H22N2O8P2 MolecularWeight: 408.280602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCC(O)(P(=O)(O)O)P(=O)(O)O)N(C1=O)C

InChI

InChI=1S/C14H22N2O8P2/c1-15-11-7-6-10(9-12(11)16(2)13(15)17)5-3-4-8-14(18,25(19,20)21)26(22,23)24/h6-7,9,18H,3-5,8H2,1-2H3,(H2,19,20,21)(H2,22,23,24)