(5-ethyl-4-oxidanylidene-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-ethyl-4-oxidanylidene-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-ethyl-4-oxo-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-ethyl-4-oxo-6-oxabicyclo[3.2.1]octan-2-yl)methyl ester IUPAC Name: (5-ethyl-4-oxo-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-ethyl-4-keto-6-oxabicyclo[3.2.1]octan-2-yl)methyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(CO1)C(CC2=O)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC12CC(CO1)C(CC2=O)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H22O5S/c1-3-17-9-14(10-21-17)13(8-16(17)18)11-22-23(19,20)15-6-4-12(2)5-7-15/h4-7,13-14H,3,8-11H2,1-2H3