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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 2-cyanobenzenesulfonate Openeye Name: (4-isopropyl-3-methyl-phenyl) 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)C(C)C

InChI

InChI=1S/C17H17NO3S/c1-12(2)16-9-8-15(10-13(16)3)21-22(19,20)17-7-5-4-6-14(17)11-18/h4-10,12H,1-3H3