2-[(4-methylphenyl)sulfonylmethoxy]-5-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethoxy]-5-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid Openeye Name: 2-(p-tolylsulfonylmethoxy)-5-(p-tolylsulfonyloxy)benzenesulfonic acid CAS Name: 2-[(4-methylphenyl)sulfonylmethoxy]-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylmethoxy]-5-(4-methylphenyl)sulfonyloxybenzenesulfonic acid Traditional Name: 2-(tosylmethoxy)-5-tosyloxy-besylic acid Formula: C21H20O9S3 MolecularWeight: 512.5731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)COC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)COC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)O

InChI

InChI=1S/C21H20O9S3/c1-15-3-8-18(9-4-15)31(22,23)14-29-20-12-7-17(13-21(20)32(24,25)26)30-33(27,28)19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,24,25,26)