[3-(2-oxidanylpropan-2-yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-(2-oxidanylpropan-2-yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-(1-hydroxy-1-methyl-ethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-hydroxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ester IUPAC Name: [3-(2-hydroxypropan-2-yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(1-hydroxy-1-methyl-ethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C=CC(C2C(C)(C)O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C=CC(C2C(C)(C)O)O3

InChI

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