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

Systemtic Name: (3E)-3-[4-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-3-[4-(2-methoxy-1,1-dimethyl-2-oxo-ethyl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-3-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-ylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-4-keto-3-[4-(2-keto-2-methoxy-1,1-dimethyl-ethyl)-5-methyl-4-imidazolin-2-ylidene]cyclohexa-1,5-diene-1-sulfonic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6S/c1-8-12(15(2,3)14(19)23-4)17-13(16-8)10-7-9(24(20,21)22)5-6-11(10)18/h5-7,16-17H,1-4H3,(H,20,21,22)/b13-10+