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

Systemtic Name: (1E)-3-ethoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid Openeye Name: (1E)-3-ethoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid CAS Name: (1E)-3-ethoxycarbonyl-1-phenyl-2-buta-1,3-dienesulfonic acid IUPAC Name: (1E)-3-ethoxycarbonyl-1-phenylbuta-1,3-diene-2-sulfonic acid Traditional Name: (1E)-3-carbethoxy-1-phenyl-buta-1,3-diene-2-sulfonic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5S/c1-3-18-13(14)10(2)12(19(15,16)17)9-11-7-5-4-6-8-11/h4-9H,2-3H2,1H3,(H,15,16,17)/b12-9+