tripotassium 2-[oxidanyl-bis(4-sulfonatooxyphenyl)methyl]benzoate

Systemtic Name: tripotassium 2-[oxidanyl-bis(4-sulfonatooxyphenyl)methyl]benzoate Openeye Name: tripotassium 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate CAS Name: tripotassium 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate IUPAC Name: tripotassium 2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate Traditional Name: tripotassium 2-[hydroxy-bis(4-sulfatophenyl)methyl]benzoate Formula: C20H13K3O11S2 MolecularWeight: 610.73552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])C(C2=CC=C(C=C2)OS(=O)(=O)[O-])(C3=CC=C(C=C3)OS(=O)(=O)[O-])O.[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(C2=CC=C(C=C2)OS(=O)(=O)[O-])(C3=CC=C(C=C3)OS(=O)(=O)[O-])O.[K+].[K+].[K+]

InChI

InChI=1S/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3