[(2R,6S,7S)-2,6-dimethyl-7-(oxan-2-yloxy)octyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,6S,7S)-2,6-dimethyl-7-(oxan-2-yloxy)octyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6S,7S)-2,6-dimethyl-7-tetrahydropyran-2-yloxy-octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6S,7S)-2,6-dimethyl-7-(2-oxanyloxy)octyl] ester IUPAC Name: [(2R,6S,7S)-2,6-dimethyl-7-(oxan-2-yloxy)octyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6S,7S)-2,6-dimethyl-7-tetrahydropyran-2-yloxy-octyl] ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCC(C)C(C)OC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)CCC[C@H](C)[C@H](C)OC2CCCCO2

InChI

InChI=1S/C22H36O5S/c1-17-11-13-21(14-12-17)28(23,24)26-16-18(2)8-7-9-19(3)20(4)27-22-10-5-6-15-25-22/h11-14,18-20,22H,5-10,15-16H2,1-4H3/t18-,19+,20+,22?/m1/s1