1,3-bis(oxidanyl)propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C10H14O5S MolecularWeight: 246.28016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O5S/c1-8-2-4-10(5-3-8)16(13,14)15-9(6-11)7-12/h2-5,9,11-12H,6-7H2,1H3