3,4-bis-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate

Systemtic Name: 3,4-bis-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate Openeye Name: 3,4-bis(p-tolylsulfonyloxy)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,4-bis-(4-methylphenyl)sulfonyloxybutyl ester IUPAC Name: 3,4-bis-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,4-ditosyloxybutyl ester Formula: C25H28O9S3 MolecularWeight: 568.67942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O9S3/c1-19-4-10-23(11-5-19)35(26,27)32-17-16-22(34-37(30,31)25-14-8-21(3)9-15-25)18-33-36(28,29)24-12-6-20(2)7-13-24/h4-15,22H,16-18H2,1-3H3