2-(6-oxidanylidenepyran-3-yl)carbonyloxy-5-sulfo-benzoic acid

Systemtic Name: 2-(6-oxidanylidenepyran-3-yl)carbonyloxy-5-sulfo-benzoic acid Openeye Name: 2-(6-oxopyran-3-carbonyl)oxy-5-sulfo-benzoic acid CAS Name: 2-[oxo-(6-oxo-3-pyranyl)methoxy]-5-sulfobenzoic acid IUPAC Name: 2-(6-oxopyran-3-carbonyl)oxy-5-sulfobenzoic acid Traditional Name: 2-(6-ketopyran-3-carbonyl)oxy-5-sulfo-benzoic acid Formula: C13H8O9S MolecularWeight: 340.26222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)OC(=O)C2=COC(=O)C=C2

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)OC(=O)C2=COC(=O)C=C2

InChI

InChI=1S/C13H8O9S/c14-11-4-1-7(6-21-11)13(17)22-10-3-2-8(23(18,19)20)5-9(10)12(15)16/h1-6H,(H,15,16)(H,18,19,20)