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

Systemtic Name: (1E)-4-methoxycarbonyl-1-phenyl-penta-1,4-diene-2-sulfonic acid Openeye Name: (1E)-4-methoxycarbonyl-1-phenyl-penta-1,4-diene-2-sulfonic acid CAS Name: (1E)-4-methoxycarbonyl-1-phenyl-2-penta-1,4-dienesulfonic acid IUPAC Name: (1E)-4-methoxycarbonyl-1-phenylpenta-1,4-diene-2-sulfonic acid Traditional Name: (1E)-4-carbomethoxy-1-phenyl-penta-1,4-diene-2-sulfonic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-10(13(14)18-2)8-12(19(15,16)17)9-11-6-4-3-5-7-11/h3-7,9H,1,8H2,2H3,(H,15,16,17)/b12-9+