4-chloranyl-2,5-bis-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2,5-bis-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid Openeye Name: 4-chloro-2,5-bis(p-tolylsulfonyloxy)benzenesulfonic acid CAS Name: 4-chloro-2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid IUPAC Name: 4-chloro-2,5-bis-(4-methylphenyl)sulfonyloxybenzenesulfonic acid Traditional Name: 4-chloro-2,5-ditosyloxy-besylic acid Formula: C20H17ClO9S3 MolecularWeight: 532.99158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2Cl)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2Cl)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O

InChI

InChI=1S/C20H17ClO9S3/c1-13-3-7-15(8-4-13)32(25,26)29-18-12-20(31(22,23)24)19(11-17(18)21)30-33(27,28)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,22,23,24)