[2-[bis(oxidanyl)methyl]-4-methyl-phenyl] benzenesulfonate

Systemtic Name: [2-[bis(oxidanyl)methyl]-4-methyl-phenyl] benzenesulfonate Openeye Name: [2-(dihydroxymethyl)-4-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(dihydroxymethyl)-4-methylphenyl] ester IUPAC Name: [2-(dihydroxymethyl)-4-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(dihydroxymethyl)-4-methyl-phenyl] ester Formula: C14H14O5S MolecularWeight: 294.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(O)O

InChI

InChI=1S/C14H14O5S/c1-10-7-8-13(12(9-10)14(15)16)19-20(17,18)11-5-3-2-4-6-11/h2-9,14-16H,1H3