1-[2-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-[2-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 1-[2-(benzyloxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[2-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl ester IUPAC Name: 1-[2-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-(benzoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]ethyl ester Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2C3CCC(C2COCC4=CC=CC=C4)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2C3CCC(C2COCC4=CC=CC=C4)O3

InChI

InChI=1S/C23H28O5S/c1-16-8-10-19(11-9-16)29(24,25)28-17(2)23-20(21-12-13-22(23)27-21)15-26-14-18-6-4-3-5-7-18/h3-11,17,20-23H,12-15H2,1-2H3