[2-(hydroxymethyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-2-(hydroxymethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-2-methylol-propyl) ester Formula: C11H16O5S MolecularWeight: 260.30674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)CO

InChI

InChI=1S/C11H16O5S/c1-9-2-4-11(5-3-9)17(14,15)16-8-10(6-12)7-13/h2-5,10,12-13H,6-8H2,1H3