4-[oxidanyl-(3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]benzoic acid

Systemtic Name: 4-[oxidanyl-(3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]benzoic acid Openeye Name: 4-[hydroxy-(3-hydroxy-4-oxo-pyran-2-yl)methyl]benzoic acid CAS Name: 4-[hydroxy-(3-hydroxy-4-oxo-2-pyranyl)methyl]benzoic acid IUPAC Name: 4-[hydroxy-(3-hydroxy-4-oxopyran-2-yl)methyl]benzoic acid Traditional Name: 4-[hydroxy-(3-hydroxy-4-keto-pyran-2-yl)methyl]benzoic acid Formula: C13H10O6 MolecularWeight: 262.2149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=C(C(=O)C=CO2)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(C2=C(C(=O)C=CO2)O)O)C(=O)O

InChI

InChI=1S/C13H10O6/c14-9-5-6-19-12(11(9)16)10(15)7-1-3-8(4-2-7)13(17)18/h1-6,10,15-16H,(H,17,18)