[(1S,5R,6R)-5-methyl-3-oxidanylidene-2-prop-2-enyl-4-oxabicyclo[3.2.2]nonan-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,5R,6R)-5-methyl-3-oxidanylidene-2-prop-2-enyl-4-oxabicyclo[3.2.2]nonan-6-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,5R,6R)-2-allyl-5-methyl-3-oxo-4-oxabicyclo[3.2.2]nonan-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,5R,6R)-5-methyl-3-oxo-2-prop-2-enyl-4-oxabicyclo[3.2.2]nonan-6-yl] ester IUPAC Name: [(1S,5R,6R)-5-methyl-3-oxo-2-prop-2-enyl-4-oxabicyclo[3.2.2]nonan-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,5R,6R)-2-allyl-3-keto-5-methyl-4-oxabicyclo[3.2.2]nonan-6-yl] ester Formula: C19H24O5S MolecularWeight: 364.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CCC2(OC(=O)C3CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H]3CC[C@]2(OC(=O)C3CC=C)C

InChI

InChI=1S/C19H24O5S/c1-4-5-16-14-10-11-19(3,23-18(16)20)17(12-14)24-25(21,22)15-8-6-13(2)7-9-15/h4,6-9,14,16-17H,1,5,10-12H2,2-3H3/t14-,16?,17+,19+/m0/s1