(1E)-3-methoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid

Systemtic Name: (1E)-3-methoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid Openeye Name: (1E)-3-methoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid CAS Name: (1E)-3-methoxycarbonyl-1-phenyl-2-buta-1,3-dienesulfonic acid IUPAC Name: (1E)-3-methoxycarbonyl-1-phenylbuta-1,3-diene-2-sulfonic acid Traditional Name: (1E)-3-carbomethoxy-1-phenyl-buta-1,3-diene-2-sulfonic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5S/c1-9(12(13)17-2)11(18(14,15)16)8-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,14,15,16)/b11-8+