potassium; 3,4,5-trisulfooxybenzoic acid

Systemtic Name: potassium; 3,4,5-trisulfooxybenzoic acid Openeye Name: potassium; 3,4,5-trisulfooxybenzoic acid CAS Name: potassium; 3,4,5-trisulfooxybenzoic acid IUPAC Name: potassium; 3,4,5-trisulfooxybenzoic acid Traditional Name: potassium; 3,4,5-trisulfoxybenzoic acid Formula: C7H6KO14S3 MolecularWeight: 449.40744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O.[K]

Isomeric SMILES

C1=C(C=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O.[K]

InChI

InChI=1S/C7H6O14S3.K/c8-7(9)3-1-4(19-22(10,11)12)6(21-24(16,17)18)5(2-3)20-23(13,14)15;/h1-2H,(H,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18);