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

Systemtic Name: [5-[6-chloranyl-1-(2,2-dimethylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-chloro-1-(2,2-dimethylpropyl)benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-chloro-1-(2,2-dimethylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-chloro-1-(2,2-dimethylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(6-chloro-1-neopentyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C16H18ClN2O4P MolecularWeight: 368.751881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=CC(=C2)Cl)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C2=C(C=CC(=C2)Cl)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C16H18ClN2O4P/c1-16(2,3)9-19-12-8-10(17)4-5-11(12)18-15(19)13-6-7-14(23-13)24(20,21)22/h4-8H,9H2,1-3H3,(H2,20,21,22)