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

Systemtic Name: (5-methyl-4-oxidanyl-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4-hydroxy-5-methyl-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-hydroxy-5-methyl-6-oxabicyclo[3.2.1]octan-2-yl)methyl ester IUPAC Name: (4-hydroxy-5-methyl-6-oxabicyclo[3.2.1]octan-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-hydroxy-5-methyl-6-oxabicyclo[3.2.1]octan-2-yl)methyl ester Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C3(CC2CO3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C3(CC2CO3)C)O

InChI

InChI=1S/C16H22O5S/c1-11-3-5-14(6-4-11)22(18,19)21-10-12-7-15(17)16(2)8-13(12)9-20-16/h3-6,12-13,15,17H,7-10H2,1-2H3