3-[4-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-(3-oxidanyl-3-oxidanylidene-prop-1-ynyl)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-(3-hydroxy-3-oxo-prop-1-ynyl)phenyl]prop-2-ynoic acid CAS Name: 3-[4-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]-2-propynoic acid IUPAC Name: 3-[4-(3-hydroxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-(3-hydroxy-3-keto-prop-1-ynyl)phenyl]propiolic acid Formula: C12H6O4 MolecularWeight: 214.17364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)O)C#CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)O)C#CC(=O)O

InChI

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