(3-methyl-5-oxidanyl-phenyl) benzenesulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) benzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C13H12O4S MolecularWeight: 264.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4S/c1-10-7-11(14)9-12(8-10)17-18(15,16)13-5-3-2-4-6-13/h2-9,14H,1H3