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

Systemtic Name: [5-[6-chloranyl-4,5-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(6-chloro-1-isobutyl-4,5-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[6-chloro-4,5-dimethyl-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-chloro-4,5-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(6-chloro-1-isobutyl-4,5-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H20ClN2O4P MolecularWeight: 382.778461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O)Cl

InChI

InChI=1S/C17H20ClN2O4P/c1-9(2)8-20-13-7-12(18)10(3)11(4)16(13)19-17(20)14-5-6-15(24-14)25(21,22)23/h5-7,9H,8H2,1-4H3,(H2,21,22,23)