4-methyl-2-(4-methylphenyl)sulfonyl-benzenesulfonic acid

Systemtic Name: 4-methyl-2-(4-methylphenyl)sulfonyl-benzenesulfonic acid Openeye Name: 4-methyl-2-(p-tolylsulfonyl)benzenesulfonic acid CAS Name: 4-methyl-2-(4-methylphenyl)sulfonylbenzenesulfonic acid IUPAC Name: 4-methyl-2-(4-methylphenyl)sulfonylbenzenesulfonic acid Traditional Name: 4-methyl-2-tosyl-besylic acid Formula: C14H14O5S2 MolecularWeight: 326.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)C)S(=O)(=O)O

InChI

InChI=1S/C14H14O5S2/c1-10-3-6-12(7-4-10)20(15,16)14-9-11(2)5-8-13(14)21(17,18)19/h3-9H,1-2H3,(H,17,18,19)