[3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] benzenesulfonate

Systemtic Name: [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] benzenesulfonate Openeye Name: [3-[2-(3-allyloxyphenyl)ethoxy]-5-ethyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] ester IUPAC Name: [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-(3-allyloxyphenyl)ethoxy]-5-ethyl-phenyl] ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O5S/c1-3-14-28-22-10-8-9-21(18-22)13-15-29-23-16-20(4-2)17-24(19-23)30-31(26,27)25-11-6-5-7-12-25/h3,5-12,16-19H,1,4,13-15H2,2H3