1,4-bis(oxidanyl)but-2-ynyl methanoate benzoate

Systemtic Name: 1,4-bis(oxidanyl)but-2-ynyl methanoate benzoate Openeye Name: 1,4-dihydroxybut-2-ynyl formate benzoate CAS Name: formic acid 1,4-dihydroxybut-2-ynyl ester benzoate IUPAC Name: 1,4-dihydroxybut-2-ynyl formate benzoate Traditional Name: formic acid 1,4-dihydroxybut-2-ynyl ester benzoate Formula: C12H11O6- MolecularWeight: 251.21214

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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#CC(O)OC=O)O

InChI

InChI=1S/C7H6O2.C5H6O4/c8-7(9)6-4-2-1-3-5-6;6-3-1-2-5(8)9-4-7/h1-5H,(H,8,9);4-6,8H,3H2/p-1