1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-methyl-2-prop-2-enyl-phenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-methyl-2-prop-2-enyl-phenoxy)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(2-allyl-4-methyl-phenoxy)-3-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]propan-2-ol; 2-hydroxy-2-oxo-acetate CAS Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-methyl-2-prop-2-enylphenoxy)-2-propanol; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[2-(hydroxymethyl)-1H-benzimidazol-1-ium-1-yl]-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol; 2-hydroxy-2-oxoacetate Traditional Name: 1-(2-allyl-4-methyl-phenoxy)-3-(2-methylol-1H-benzimidazol-1-ium-1-yl)propan-2-ol binoxalate Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH+]2C3=CC=CC=C3N=C2CO)O)CC=C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(C[NH+]2C3=CC=CC=C3N=C2CO)O)CC=C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H24N2O3.C2H2O4/c1-3-6-16-11-15(2)9-10-20(16)26-14-17(25)12-23-19-8-5-4-7-18(19)22-21(23)13-24;3-1(4)2(5)6/h3-5,7-11,17,24-25H,1,6,12-14H2,2H3;(H,3,4)(H,5,6)