[(E)-1,4-bis(oxidanyl)but-2-enyl] methanoate benzoate

Systemtic Name: [(E)-1,4-bis(oxidanyl)but-2-enyl] methanoate benzoate Openeye Name: [(E)-1,4-dihydroxybut-2-enyl] formate benzoate CAS Name: formic acid [(E)-1,4-dihydroxybut-2-enyl] ester benzoate IUPAC Name: [(E)-1,4-dihydroxybut-2-enyl] formate benzoate Traditional Name: formic acid [(E)-1,4-dihydroxybut-2-enyl] ester benzoate Formula: C12H13O6- MolecularWeight: 253.22802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C(C=CC(O)OC=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C(/C=C/C(O)OC=O)O

InChI

InChI=1S/C7H6O2.C5H8O4/c8-7(9)6-4-2-1-3-5-6;6-3-1-2-5(8)9-4-7/h1-5H,(H,8,9);1-2,4-6,8H,3H2/p-1/b;2-1+