[3-(hydroxymethyl)-5-methyl-4-oxidanyl-phenyl]methanesulfonate

Systemtic Name: [3-(hydroxymethyl)-5-methyl-4-oxidanyl-phenyl]methanesulfonate Openeye Name: [4-hydroxy-3-(hydroxymethyl)-5-methyl-phenyl]methanesulfonate CAS Name: [4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methanesulfonate IUPAC Name: [4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methanesulfonate Traditional Name: (4-hydroxy-3-methyl-5-methylol-phenyl)methanesulfonate Formula: C9H11O5S- MolecularWeight: 231.24564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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