potassium 5H-1,3-benzodioxine-2-carboxylate

Systemtic Name: potassium 5H-1,3-benzodioxine-2-carboxylate Openeye Name: potassium 5H-1,3-benzodioxine-2-carboxylate CAS Name: potassium 5H-1,3-benzodioxin-2-carboxylate IUPAC Name: potassium 5H-1,3-benzodioxine-2-carboxylate Traditional Name: potassium 5H-1,3-benzodioxin-2-carboxylate Formula: C36H28KO16-3 MolecularWeight: 755.69622

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].[K+]

Isomeric SMILES

C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].C1C=CC=C2C1=COC(O2)C(=O)[O-].[K+]

InChI

InChI=1S/4C9H8O4.K/c4*10-8(11)9-12-5-6-3-1-2-4-7(6)13-9;/h4*1-2,4-5,9H,3H2,(H,10,11);/q;;;;+1/p-4