(5S)-5-methyl-5-(4-propan-2-yloxyphenyl)imidazole-2,4-diolate

Systemtic Name: (5S)-5-methyl-5-(4-propan-2-yloxyphenyl)imidazole-2,4-diolate Openeye Name: (5S)-5-(4-isopropoxyphenyl)-5-methyl-imidazole-2,4-diolate CAS Name: (5S)-5-methyl-5-(4-propan-2-yloxyphenyl)imidazole-2,4-diolate IUPAC Name: (5S)-5-methyl-5-(4-propan-2-yloxyphenyl)imidazole-2,4-diolate Traditional Name: (5S)-5-(4-isopropoxyphenyl)-5-methyl-imidazole-2,4-diolate Formula: C13H14N2O3-2 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2(C(=NC(=N2)[O-])[O-])C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@]2(C(=NC(=N2)[O-])[O-])C

InChI

InChI=1S/C13H16N2O3/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(16)14-12(17)15-13/h4-8H,1-3H3,(H2,14,15,16,17)/p-2/t13-/m0/s1