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

Systemtic Name: [3-(hydroxymethyl)-5-methyl-4-oxidanyl-phenyl]methanesulfonic acid Openeye Name: [4-hydroxy-3-(hydroxymethyl)-5-methyl-phenyl]methanesulfonic acid CAS Name: [4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methanesulfonic acid IUPAC Name: [4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methanesulfonic acid Traditional Name: (4-hydroxy-3-methyl-5-methylol-phenyl)methanesulfonic acid Formula: C9H12O5S MolecularWeight: 232.25358

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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)