[5-cyclohexyl-2-ethyl-2-[(4-methylphenyl)sulfonyloxymethyl]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-cyclohexyl-2-ethyl-2-[(4-methylphenyl)sulfonyloxymethyl]pentyl] 4-methylbenzenesulfonate Openeye Name: [5-cyclohexyl-2-ethyl-2-(p-tolylsulfonyloxymethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-cyclohexyl-2-ethyl-2-[(4-methylphenyl)sulfonyloxymethyl]pentyl] ester IUPAC Name: [5-cyclohexyl-2-ethyl-2-[(4-methylphenyl)sulfonyloxymethyl]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-cyclohexyl-2-ethyl-2-(tosyloxymethyl)pentyl] ester Formula: C28H40O6S2 MolecularWeight: 536.7436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1CCCCC1)(COS(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(CCCC1CCCCC1)(COS(=O)(=O)C2=CC=C(C=C2)C)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H40O6S2/c1-4-28(20-8-11-25-9-6-5-7-10-25,21-33-35(29,30)26-16-12-23(2)13-17-26)22-34-36(31,32)27-18-14-24(3)15-19-27/h12-19,25H,4-11,20-22H2,1-3H3