[(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C17H18O5S MolecularWeight: 334.38682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=CC=CC(=C3O2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2COC3=CC=CC(=C3O2)C

InChI

InChI=1S/C17H18O5S/c1-12-6-8-15(9-7-12)23(18,19)21-11-14-10-20-16-5-3-4-13(2)17(16)22-14/h3-9,14H,10-11H2,1-2H3/t14-/m1/s1