[2,3-bis-(4-methylphenyl)sulfonyloxy-4-octanoyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,3-bis-(4-methylphenyl)sulfonyloxy-4-octanoyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-octanoyl-2,3-bis(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,3-bis-(4-methylphenyl)sulfonyloxy-4-(1-oxooctyl)phenyl] ester IUPAC Name: [2,3-bis-(4-methylphenyl)sulfonyloxy-4-octanoylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-caprylyl-2,3-ditosyloxy-phenyl) ester Formula: C35H38O10S3 MolecularWeight: 714.86522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(C(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCCCC(=O)C1=C(C(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C35H38O10S3/c1-5-6-7-8-9-10-32(36)31-23-24-33(43-46(37,38)28-17-11-25(2)12-18-28)35(45-48(41,42)30-21-15-27(4)16-22-30)34(31)44-47(39,40)29-19-13-26(3)14-20-29/h11-24H,5-10H2,1-4H3