2-[2-(2-acetyloxy-5-sulfo-phenyl)-5-methyl-1H-imidazol-4-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[2-(2-acetyloxy-5-sulfo-phenyl)-5-methyl-1H-imidazol-4-yl]-2-methyl-propanoic acid Openeye Name: 2-[2-(2-acetoxy-5-sulfo-phenyl)-5-methyl-1H-imidazol-4-yl]-2-methyl-propanoic acid CAS Name: 2-[2-(2-acetyloxy-5-sulfophenyl)-5-methyl-1H-imidazol-4-yl]-2-methylpropanoic acid IUPAC Name: 2-[2-(2-acetyloxy-5-sulfophenyl)-5-methyl-1H-imidazol-4-yl]-2-methylpropanoic acid Traditional Name: 2-[2-(2-acetoxy-5-sulfo-phenyl)-5-methyl-1H-imidazol-4-yl]-2-methyl-propionic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=C(C=CC(=C2)S(=O)(=O)O)OC(=O)C)C(C)(C)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1)C2=C(C=CC(=C2)S(=O)(=O)O)OC(=O)C)C(C)(C)C(=O)O

InChI

InChI=1S/C16H18N2O7S/c1-8-13(16(3,4)15(20)21)18-14(17-8)11-7-10(26(22,23)24)5-6-12(11)25-9(2)19/h5-7H,1-4H3,(H,17,18)(H,20,21)(H,22,23,24)