[5-[1-(4-bromanylbutyl)-6-chloranyl-4,5-dimethyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[1-(4-bromanylbutyl)-6-chloranyl-4,5-dimethyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[1-(4-bromobutyl)-6-chloro-4,5-dimethyl-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[1-(4-bromobutyl)-6-chloro-4,5-dimethyl-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[1-(4-bromobutyl)-6-chloro-4,5-dimethylbenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[1-(4-bromobutyl)-6-chloro-4,5-dimethyl-benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C17H19BrClN2O4P MolecularWeight: 461.674521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C(N2CCCCBr)C3=CC=C(O3)P(=O)(O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C(N2CCCCBr)C3=CC=C(O3)P(=O)(O)O)Cl

InChI

InChI=1S/C17H19BrClN2O4P/c1-10-11(2)16-13(9-12(10)19)21(8-4-3-7-18)17(20-16)14-5-6-15(25-14)26(22,23)24/h5-6,9H,3-4,7-8H2,1-2H3,(H2,22,23,24)