[2,7-dimethyl-8-(4-methylphenyl)sulfonyloxy-2,7-bis[(4-methylphenyl)sulfonyloxymethyl]oct-4-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [2,7-dimethyl-8-(4-methylphenyl)sulfonyloxy-2,7-bis[(4-methylphenyl)sulfonyloxymethyl]oct-4-ynyl] 4-methylbenzenesulfonate Openeye Name: [2,7-dimethyl-8-(p-tolylsulfonyloxy)-2,7-bis(p-tolylsulfonyloxymethyl)oct-4-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,7-dimethyl-8-(4-methylphenyl)sulfonyloxy-2,7-bis[(4-methylphenyl)sulfonyloxymethyl]oct-4-ynyl] ester IUPAC Name: [2,7-dimethyl-8-(4-methylphenyl)sulfonyloxy-2,7-bis[(4-methylphenyl)sulfonyloxymethyl]oct-4-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,7-dimethyl-8-tosyloxy-2,7-bis(tosyloxymethyl)oct-4-ynyl] ester Formula: C40H46O12S4 MolecularWeight: 847.04604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CC#CCC(C)(COS(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CC#CCC(C)(COS(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C40H46O12S4/c1-31-9-17-35(18-10-31)53(41,42)49-27-39(5,28-50-54(43,44)36-19-11-32(2)12-20-36)25-7-8-26-40(6,29-51-55(45,46)37-21-13-33(3)14-22-37)30-52-56(47,48)38-23-15-34(4)16-24-38/h9-24H,25-30H2,1-6H3