[4-(hydroxymethyl)-2,2-dimethyl-oxetan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(hydroxymethyl)-2,2-dimethyl-oxetan-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(hydroxymethyl)-2,2-dimethyl-oxetan-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(hydroxymethyl)-2,2-dimethyl-3-oxetanyl] ester IUPAC Name: [4-(hydroxymethyl)-2,2-dimethyloxetan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-4-methylol-oxetan-3-yl) ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC2(C)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC2(C)C)CO

InChI

InChI=1S/C13H18O5S/c1-9-4-6-10(7-5-9)19(15,16)18-12-11(8-14)17-13(12,2)3/h4-7,11-12,14H,8H2,1-3H3