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

Systemtic Name: [3-[2-(4-cyano-3-prop-2-enoxy-phenyl)ethoxy]-5-methyl-phenyl] 3-methylbenzenesulfonate Openeye Name: [3-[2-(3-allyloxy-4-cyano-phenyl)ethoxy]-5-methyl-phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [3-[2-(4-cyano-3-prop-2-enoxyphenyl)ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-(4-cyano-3-prop-2-enoxyphenyl)ethoxy]-5-methylphenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [3-[2-(3-allyloxy-4-cyano-phenyl)ethoxy]-5-methyl-phenyl] ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO5S/c1-4-11-31-26-16-21(8-9-22(26)18-27)10-12-30-23-13-20(3)14-24(17-23)32-33(28,29)25-7-5-6-19(2)15-25/h4-9,13-17H,1,10-12H2,2-3H3