(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-cyanobenzenesulfonate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H16ClNO3S/c1-11(2)15-9-16(18)12(3)7-17(15)22-23(20,21)14-6-4-5-13(8-14)10-19/h4-9,11H,1-3H3