[(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(3aS,5S,6R,6aS)-6-allyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] ester IUPAC Name: [(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(3aS,5S,6R,6aS)-6-allyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethyl] ester Formula: C19H26O7S MolecularWeight: 398.47054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2C(C3C(O2)OC(O3)(C)C)OCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)[C@@H]2[C@H]([C@H]3[C@@H](O2)OC(O3)(C)C)OCC=C

InChI

InChI=1S/C19H26O7S/c1-6-11-22-16-15(23-18-17(16)24-19(4,5)25-18)13(3)26-27(20,21)14-9-7-12(2)8-10-14/h6-10,13,15-18H,1,11H2,2-5H3/t13-,15-,16-,17+,18+/m1/s1