2-(hydroxymethyl)-4-methyl-benzenesulfonate

Systemtic Name: 2-(hydroxymethyl)-4-methyl-benzenesulfonate Openeye Name: 2-(hydroxymethyl)-4-methyl-benzenesulfonate CAS Name: 2-(hydroxymethyl)-4-methylbenzenesulfonate IUPAC Name: 2-(hydroxymethyl)-4-methylbenzenesulfonate Traditional Name: 4-methyl-2-methylol-besylate Formula: C8H9O4S- MolecularWeight: 201.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CO

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CO

InChI

InChI=1S/C8H10O4S/c1-6-2-3-8(13(10,11)12)7(4-6)5-9/h2-4,9H,5H2,1H3,(H,10,11,12)/p-1