[2-butyl-2-[(4-methylphenyl)sulfonyloxymethyl]hexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-butyl-2-[(4-methylphenyl)sulfonyloxymethyl]hexyl] 4-methylbenzenesulfonate Openeye Name: [2-butyl-2-(p-tolylsulfonyloxymethyl)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-butyl-2-[(4-methylphenyl)sulfonyloxymethyl]hexyl] ester IUPAC Name: [2-butyl-2-[(4-methylphenyl)sulfonyloxymethyl]hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-butyl-2-(tosyloxymethyl)hexyl] ester Formula: C25H36O6S2 MolecularWeight: 496.67974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(COS(=O)(=O)C1=CC=C(C=C1)C)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CCCC)(COS(=O)(=O)C1=CC=C(C=C1)C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H36O6S2/c1-5-7-17-25(18-8-6-2,19-30-32(26,27)23-13-9-21(3)10-14-23)20-31-33(28,29)24-15-11-22(4)12-16-24/h9-16H,5-8,17-20H2,1-4H3