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

Systemtic Name: [2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-3-yl]methyl ester IUPAC Name: [2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methylol-7-oxabicyclo[2.2.1]hept-5-en-3-yl)methyl ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C=CC(C2CO)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C=CC(C2CO)O3

InChI

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