[(1R,3aR,6aS)-2,2-dimethyl-5-oxidanylidene-3a-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3aR,6aS)-2,2-dimethyl-5-oxidanylidene-3a-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,3aR,6aS)-3a-allyl-2,2-dimethyl-5-oxo-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3aR,6aS)-2,2-dimethyl-5-oxo-3a-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] ester IUPAC Name: [(1R,3aR,6aS)-2,2-dimethyl-5-oxo-3a-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3aR,6aS)-3a-allyl-5-keto-2,2-dimethyl-3,4,6,6a-tetrahydro-1H-pentalen-1-yl] ester Formula: C20H26O4S MolecularWeight: 362.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC(=O)CC3(CC2(C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]3CC(=O)C[C@]3(CC2(C)C)CC=C

InChI

InChI=1S/C20H26O4S/c1-5-10-20-12-15(21)11-17(20)18(19(3,4)13-20)24-25(22,23)16-8-6-14(2)7-9-16/h5-9,17-18H,1,10-13H2,2-4H3/t17-,18-,20+/m1/s1