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

Systemtic Name: (3-methyl-5-propan-2-yl-phenyl) 4-cyanobenzenesulfonate Openeye Name: (3-isopropyl-5-methyl-phenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (3-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-5-propan-2-ylphenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (3-isopropyl-5-methyl-phenyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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