(3-ethyl-5-oxidanyl-phenyl) 2-methylsulfonylbenzenesulfonate

Systemtic Name: (3-ethyl-5-oxidanyl-phenyl) 2-methylsulfonylbenzenesulfonate Openeye Name: (3-ethyl-5-hydroxy-phenyl) 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid (3-ethyl-5-hydroxyphenyl) ester IUPAC Name: (3-ethyl-5-hydroxyphenyl) 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid (3-ethyl-5-hydroxy-phenyl) ester Formula: C15H16O6S2 MolecularWeight: 356.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)O

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)O

InChI

InChI=1S/C15H16O6S2/c1-3-11-8-12(16)10-13(9-11)21-23(19,20)15-7-5-4-6-14(15)22(2,17)18/h4-10,16H,3H2,1-2H3