[2,3-bis(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate

Systemtic Name: [2,3-bis(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate Openeye Name: [2,3-bis(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,3-bis(hydroxymethyl)cyclobutyl] ester IUPAC Name: [2,3-bis(hydroxymethyl)cyclobutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3-dimethylolcyclobutyl) ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2CO)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(C2CO)CO

InChI

InChI=1S/C13H18O5S/c1-9-2-4-11(5-3-9)19(16,17)18-13-6-10(7-14)12(13)8-15/h2-5,10,12-15H,6-8H2,1H3