[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate Openeye Name: [(4S,5R)-4-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] ester IUPAC Name: [(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S,5R)-4-(benzoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] ester Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2COC(OC2COCC3=CC=CC=C3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2COC(O[C@H]2COCC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)27-20-15-25-21(2,3)26-19(20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20+/m0/s1