2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate

Systemtic Name: 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate Openeye Name: 2,3,4,5,6-pentakis(p-tolylsulfonyloxy)hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl ester IUPAC Name: 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,3,4,5,6-pentatosyloxyhexyl ester Formula: C48H50O18S6 MolecularWeight: 1107.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=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)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=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)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C48H50O18S6/c1-33-7-19-39(20-8-33)67(49,50)61-31-45(63-69(53,54)41-23-11-35(3)12-24-41)47(65-71(57,58)43-27-15-37(5)16-28-43)48(66-72(59,60)44-29-17-38(6)18-30-44)46(64-70(55,56)42-25-13-36(4)14-26-42)32-62-68(51,52)40-21-9-34(2)10-22-40/h7-30,45-48H,31-32H2,1-6H3