2,3-bis(hydroxymethyl)-4-methyl-benzenesulfonate

Systemtic Name: 2,3-bis(hydroxymethyl)-4-methyl-benzenesulfonate Openeye Name: 2,3-bis(hydroxymethyl)-4-methyl-benzenesulfonate CAS Name: 2,3-bis(hydroxymethyl)-4-methylbenzenesulfonate IUPAC Name: 2,3-bis(hydroxymethyl)-4-methylbenzenesulfonate Traditional Name: 4-methyl-2,3-dimethylol-besylate Formula: C9H11O5S- MolecularWeight: 231.24564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O5S/c1-6-2-3-9(15(12,13)14)8(5-11)7(6)4-10/h2-3,10-11H,4-5H2,1H3,(H,12,13,14)/p-1