[(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate Openeye Name: [(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3aR,5R,6S,6aR)-2,2-dimethyl-5-methylol-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester Formula: C15H20O7S MolecularWeight: 344.3801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)CO

Isomeric SMILES

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

InChI

InChI=1S/C15H20O7S/c1-9-4-6-10(7-5-9)23(17,18)22-12-11(8-16)19-14-13(12)20-15(2,3)21-14/h4-7,11-14,16H,8H2,1-3H3/t11-,12+,13-,14-/m1/s1