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

Systemtic Name: [(2R,6R)-2,6-dimethyl-7-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Openeye Name: [(2R,6R)-2,6-dimethyl-7-tetrahydropyran-2-yloxy-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6-dimethyl-7-(2-oxanyloxy)heptyl] ester IUPAC Name: [(2R,6R)-2,6-dimethyl-7-(oxan-2-yloxy)heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,6R)-2,6-dimethyl-7-tetrahydropyran-2-yloxy-heptyl] ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CCCC(C)COC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)CCC[C@@H](C)COC2CCCCO2

InChI

InChI=1S/C21H34O5S/c1-17-10-12-20(13-11-17)27(22,23)26-16-19(3)8-6-7-18(2)15-25-21-9-4-5-14-24-21/h10-13,18-19,21H,4-9,14-16H2,1-3H3/t18-,19-,21?/m1/s1