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sodium 2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]benzenesulfonate

sodium 2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]benzenesulfonate

Systemtic Name:sodium 2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]benzenesulfonate
Openeye Name:sodium 2-[bis(3,5-dichloro-2-hydroxy-phenyl)methyl]benzenesulfonate
CAS Name:sodium 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulfonate
IUPAC Name:sodium 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulfonate
Traditional Name:sodium 2-[bis(3,5-dichloro-2-hydroxy-phenyl)methyl]besylate
Formula: C19H11Cl4NaO5S
MolecularWeight: 516.15441
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC(=CC(=C2O)Cl)Cl)C3=CC(=CC(=C3O)Cl)Cl)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC(=CC(=C2O)Cl)Cl)C3=CC(=CC(=C3O)Cl)Cl)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C19H12Cl4O5S.Na/c20-9-5-12(18(24)14(22)7-9)17(13-6-10(21)8-15(23)19(13)25)11-3-1-2-4-16(11)29(26,27)28;/h1-8,17,24-25H,(H,26,27,28);/q;+1/p-1


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