[(1R,3R,5S,6R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3R,5S,6R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,3R,5S,6R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3R,5S,6R)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan-5-yl] ester IUPAC Name: [(1R,3R,5S,6R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3R,5S,6R)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] ester Formula: C17H22O4S MolecularWeight: 322.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC3C2(O3)C)C(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4S/c1-11(2)13-9-15-17(4,20-15)16(10-13)21-22(18,19)14-7-5-12(3)6-8-14/h5-8,13,15-16H,1,9-10H2,2-4H3/t13-,15-,16+,17-/m1/s1