[3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] benzenesulfonate

Systemtic Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] benzenesulfonate Openeye Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-ethylphenyl] ester IUPAC Name: [3-[2-(4-cyanophenyl)ethoxy]-5-ethylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-(4-cyanophenyl)ethoxy]-5-ethyl-phenyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21NO4S/c1-2-18-14-21(27-13-12-19-8-10-20(17-24)11-9-19)16-22(15-18)28-29(25,26)23-6-4-3-5-7-23/h3-11,14-16H,2,12-13H2,1H3