tripotassium 4-[oxidanyl(sulfonato)methyl]benzene-1,3-disulfonate

Systemtic Name: tripotassium 4-[oxidanyl(sulfonato)methyl]benzene-1,3-disulfonate Openeye Name: tripotassium 4-[hydroxy(sulfonato)methyl]benzene-1,3-disulfonate CAS Name: tripotassium 4-[hydroxy(sulfonato)methyl]benzene-1,3-disulfonate IUPAC Name: tripotassium 4-[hydroxy(sulfonato)methyl]benzene-1,3-disulfonate Traditional Name: tripotassium 4-[hydroxy(sulfonato)methyl]benzene-1,3-disulfonate Formula: C7H5K3O10S3 MolecularWeight: 462.5985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C7H8O10S3.3K/c8-7(20(15,16)17)5-2-1-4(18(9,10)11)3-6(5)19(12,13)14;;;/h1-3,7-8H,(H,9,10,11)(H,12,13,14)(H,15,16,17);;;/q;3*+1/p-3