(1E)-4-(2-methylpropoxycarbonyl)-1-phenyl-penta-1,4-diene-2-sulfonic acid

Systemtic Name: (1E)-4-(2-methylpropoxycarbonyl)-1-phenyl-penta-1,4-diene-2-sulfonic acid Openeye Name: (1E)-4-isobutoxycarbonyl-1-phenyl-penta-1,4-diene-2-sulfonic acid CAS Name: (1E)-4-[2-methylpropoxy(oxo)methyl]-1-phenyl-2-penta-1,4-dienesulfonic acid IUPAC Name: (1E)-4-(2-methylpropoxycarbonyl)-1-phenylpenta-1,4-diene-2-sulfonic acid Traditional Name: (1E)-4-isobutoxycarbonyl-1-phenyl-penta-1,4-diene-2-sulfonic acid Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=C)CC(=CC1=CC=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)COC(=O)C(=C)C/C(=C\C1=CC=CC=C1)/S(=O)(=O)O

InChI

InChI=1S/C16H20O5S/c1-12(2)11-21-16(17)13(3)9-15(22(18,19)20)10-14-7-5-4-6-8-14/h4-8,10,12H,3,9,11H2,1-2H3,(H,18,19,20)/b15-10+