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

Systemtic Name: [3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-1-phosphono-propyl]phosphonic acid Formula: C12H18N2O8P2 MolecularWeight: 380.227442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O8P2/c1-13-9-4-3-8(7-10(9)14(2)11(13)15)5-6-12(16,23(17,18)19)24(20,21)22/h3-4,7,16H,5-6H2,1-2H3,(H2,17,18,19)(H2,20,21,22)