3-[3-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[3-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-ynoic acid Openeye Name: 3-[3-(3-hydroxy-3-oxo-prop-1-ynyl)phenyl]prop-2-ynoic acid CAS Name: 3-[3-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]-2-propynoic acid IUPAC Name: 3-[3-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoic acid Traditional Name: 3-[3-(3-hydroxy-3-keto-prop-1-ynyl)phenyl]propiolic acid Formula: C12H6O4 MolecularWeight: 214.17364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C#CC(=O)O)C#CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C#CC(=O)O)C#CC(=O)O

InChI

InChI=1S/C12H6O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-3,8H,(H,13,14)(H,15,16)