(3-ethoxy-5-methyl-phenyl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-chloranyl-5-(trifluoromethyl)benzenesulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-chloro-5-(trifluoromethyl)benzenesulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-chloro-5-(trifluoromethyl)benzenesulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C16H14ClF3O4S MolecularWeight: 394.79317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3O4S/c1-3-23-12-6-10(2)7-13(9-12)24-25(21,22)15-8-11(16(18,19)20)4-5-14(15)17/h4-9H,3H2,1-2H3