2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]benzenesulfonic acid

Systemtic Name: 2-[bis[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]benzenesulfonic acid Openeye Name: 2-[bis(3,5-dichloro-2-hydroxy-phenyl)methyl]benzenesulfonic acid CAS Name: 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulfonic acid IUPAC Name: 2-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulfonic acid Traditional Name: 2-[bis(3,5-dichloro-2-hydroxy-phenyl)methyl]besylic acid Formula: C19H12Cl4O5S MolecularWeight: 494.17258

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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

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC(=CC(=C2O)Cl)Cl)C3=CC(=CC(=C3O)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C19H12Cl4O5S/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)