[(4aR,6R,7aR)-3-oxidanylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4aR,6R,7aR)-3-oxidanylidene-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(4aR,6R,7aR)-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4aR,6R,7aR)-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] ester IUPAC Name: [(4aR,6R,7aR)-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4aR,6R,7aR)-3-keto-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl] ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC(=O)OCC3C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H]3CC(=O)OC[C@@H]3C2

InChI

InChI=1S/C15H18O5S/c1-10-2-4-14(5-3-10)21(17,18)20-13-6-11-8-15(16)19-9-12(11)7-13/h2-5,11-13H,6-9H2,1H3/t11-,12+,13-/m1/s1