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

Systemtic Name: [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate Openeye Name: [3-[2-(3-allyloxyphenyl)ethoxy]-5-ethyl-phenyl] 2-methoxy-5-methyl-benzenesulfonate CAS Name: 2-methoxy-5-methylbenzenesulfonic acid [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] ester IUPAC Name: [3-ethyl-5-[2-(3-prop-2-enoxyphenyl)ethoxy]phenyl] 2-methoxy-5-methylbenzenesulfonate Traditional Name: 2-methoxy-5-methyl-benzenesulfonic acid [3-[2-(3-allyloxyphenyl)ethoxy]-5-ethyl-phenyl] ester Formula: C27H30O6S MolecularWeight: 482.5885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O6S/c1-5-13-31-23-9-7-8-22(18-23)12-14-32-24-16-21(6-2)17-25(19-24)33-34(28,29)27-15-20(3)10-11-26(27)30-4/h5,7-11,15-19H,1,6,12-14H2,2-4H3