[1-(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate

Systemtic Name: [1-(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate Openeye Name: [1-(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(hydroxymethyl)cyclobutyl] ester IUPAC Name: [1-(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methylolcyclobutyl) ester Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCC2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCC2)CO

InChI

InChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(14,15)16-12(9-13)7-2-8-12/h3-6,13H,2,7-9H2,1H3