[3-[2-(4-cyano-3-prop-2-enoxy-phenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate

Systemtic Name: [3-[2-(4-cyano-3-prop-2-enoxy-phenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate Openeye Name: [3-[2-(3-allyloxy-4-cyano-phenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate CAS Name: 2-methoxy-5-methylbenzenesulfonic acid [3-[2-(4-cyano-3-prop-2-enoxyphenyl)ethoxy]phenyl] ester IUPAC Name: [3-[2-(4-cyano-3-prop-2-enoxyphenyl)ethoxy]phenyl] 2-methoxy-5-methylbenzenesulfonate Traditional Name: 2-methoxy-5-methyl-benzenesulfonic acid [3-[2-(3-allyloxy-4-cyano-phenyl)ethoxy]phenyl] ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC(=C(C=C3)C#N)OCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC(=C(C=C3)C#N)OCC=C

InChI

InChI=1S/C26H25NO6S/c1-4-13-32-25-16-20(9-10-21(25)18-27)12-14-31-22-6-5-7-23(17-22)33-34(28,29)26-15-19(2)8-11-24(26)30-3/h4-11,15-17H,1,12-14H2,2-3H3