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

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C12H18O6S MolecularWeight: 290.33272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O6S/c1-10-2-4-11(5-3-10)19(16,17)18-9-12(6-13,7-14)8-15/h2-5,13-15H,6-9H2,1H3