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

Systemtic Name: (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid Openeye Name: (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid CAS Name: (1E)-3-[butoxy(oxo)methyl]-1-phenyl-2-buta-1,3-dienesulfonic acid IUPAC Name: (1E)-3-butoxycarbonyl-1-phenylbuta-1,3-diene-2-sulfonic acid Traditional Name: (1E)-3-butoxycarbonyl-1-phenyl-buta-1,3-diene-2-sulfonic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5S/c1-3-4-10-20-15(16)12(2)14(21(17,18)19)11-13-8-6-5-7-9-13/h5-9,11H,2-4,10H2,1H3,(H,17,18,19)/b14-11+