6,7-bis-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate

Systemtic Name: 6,7-bis-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate Openeye Name: 6,7-bis(p-tolylsulfonyloxy)heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6,7-bis-(4-methylphenyl)sulfonyloxyheptyl ester IUPAC Name: 6,7-bis-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6,7-ditosyloxyheptyl ester Formula: C28H34O9S3 MolecularWeight: 610.75916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H34O9S3/c1-22-8-14-26(15-9-22)38(29,30)35-20-6-4-5-7-25(37-40(33,34)28-18-12-24(3)13-19-28)21-36-39(31,32)27-16-10-23(2)11-17-27/h8-19,25H,4-7,20-21H2,1-3H3