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

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

Systemtic Name:tripotassium 2-[oxidanyl-bis(4-sulfooxyphenyl)methyl]benzoate
Openeye Name:tripotassium 2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoate
CAS Name:tripotassium 2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoate
IUPAC Name:tripotassium 2-[hydroxy-bis(4-sulfooxyphenyl)methyl]benzoate
Traditional Name:tripotassium 2-[hydroxy-bis(4-sulfoxyphenyl)methyl]benzoate
Formula: C20H15K3O11S2+2
MolecularWeight: 612.7514
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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-1


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