[5-[1-(2,2-dimethylpropyl)-7-methyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[1-(2,2-dimethylpropyl)-7-methyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[1-(2,2-dimethylpropyl)-7-methyl-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[1-(2,2-dimethylpropyl)-7-methyl-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[1-(2,2-dimethylpropyl)-7-methylbenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(7-methyl-1-neopentyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H21N2O4P MolecularWeight: 348.333401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N2CC(C)(C)C)C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N2CC(C)(C)C)C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C17H21N2O4P/c1-11-6-5-7-12-15(11)19(10-17(2,3)4)16(18-12)13-8-9-14(23-13)24(20,21)22/h5-9H,10H2,1-4H3,(H2,20,21,22)