(3E)-3-[4-methyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-1,3-dihydroimidazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3E)-3-[4-methyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-1,3-dihydroimidazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-3-[4-(2-hydroxy-1,1-dimethyl-ethyl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-3-[4-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-3-[4-(1-hydroxy-2-methylpropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-3-[4-(2-hydroxy-1,1-dimethyl-ethyl)-5-methyl-4-imidazolin-2-ylidene]-4-keto-cyclohexa-1,5-diene-1-sulfonic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C2C=C(C=CC2=O)S(=O)(=O)O)N1)C(C)(C)CO

Isomeric SMILES

CC1=C(N/C(=C/2\C=C(C=CC2=O)S(=O)(=O)O)/N1)C(C)(C)CO

InChI

InChI=1S/C14H18N2O5S/c1-8-12(14(2,3)7-17)16-13(15-8)10-6-9(22(19,20)21)4-5-11(10)18/h4-6,15-17H,7H2,1-3H3,(H,19,20,21)/b13-10+