(4-cyanophenyl) 3-methyl-4-propan-2-yloxy-benzenesulfonate

Systemtic Name: (4-cyanophenyl) 3-methyl-4-propan-2-yloxy-benzenesulfonate Openeye Name: (4-cyanophenyl) 4-isopropoxy-3-methyl-benzenesulfonate CAS Name: 3-methyl-4-propan-2-yloxybenzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-methyl-4-propan-2-yloxybenzenesulfonate Traditional Name: 4-isopropoxy-3-methyl-benzenesulfonic acid (4-cyanophenyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N)OC(C)C

InChI

InChI=1S/C17H17NO4S/c1-12(2)21-17-9-8-16(10-13(17)3)23(19,20)22-15-6-4-14(11-18)5-7-15/h4-10,12H,1-3H3