(3-methyl-5-oxidanyl-phenyl) 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 2,5-bis(chloranyl)benzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C13H10Cl2O4S MolecularWeight: 333.1871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2O4S/c1-8-4-10(16)7-11(5-8)19-20(17,18)13-6-9(14)2-3-12(13)15/h2-7,16H,1H3