2-methyl-2-[(2E)-5-methyl-2-(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid

Systemtic Name: 2-methyl-2-[(2E)-5-methyl-2-(6-oxidanylidene-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-methyl-2-[(2E)-5-methyl-2-(6-oxo-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-methyl-2-[(2E)-5-methyl-2-(6-oxo-3-sulfo-1-cyclohexa-2,4-dienylidene)-1,3-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-methyl-2-[(2E)-5-methyl-2-(6-oxo-3-sulfocyclohexa-2,4-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-[(2E)-2-(6-keto-3-sulfo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-4-imidazolin-4-yl]-2-methyl-propionic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6S/c1-7-11(14(2,3)13(18)19)16-12(15-7)9-6-8(23(20,21)22)4-5-10(9)17/h4-6,15-16H,1-3H3,(H,18,19)(H,20,21,22)/b12-9+