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

Systemtic Name: sodium bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl benzenesulfonate Openeye Name: sodium bis(3,5-dichloro-2-hydroxy-phenyl)methyl benzenesulfonate CAS Name: sodium benzenesulfonic acid bis(3,5-dichloro-2-hydroxyphenyl)methyl ester IUPAC Name: sodium bis(3,5-dichloro-2-hydroxyphenyl)methyl benzenesulfonate Traditional Name: sodium benzenesulfonic acid bis(3,5-dichloro-2-hydroxy-phenyl)methyl ester Formula: C19H12Cl4NaO5S+ MolecularWeight: 517.16235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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