[(2R,6R)-2,6,10-trimethylundecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,6R)-2,6,10-trimethylundecyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6R)-2,6,10-trimethylundecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6,10-trimethylundecyl] ester IUPAC Name: [(2R,6R)-2,6,10-trimethylundecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6,10-trimethylundecyl] ester Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H36O3S/c1-17(2)8-6-9-18(3)10-7-11-20(5)16-24-25(22,23)21-14-12-19(4)13-15-21/h12-15,17-18,20H,6-11,16H2,1-5H3/t18-,20-/m1/s1