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

Systemtic Name: [3-[2-(4-cyano-3-oxidanyl-phenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate Openeye Name: [3-[2-(4-cyano-3-hydroxy-phenyl)ethoxy]phenyl] 2-methoxy-5-methyl-benzenesulfonate CAS Name: 2-methoxy-5-methylbenzenesulfonic acid [3-[2-(4-cyano-3-hydroxyphenyl)ethoxy]phenyl] ester IUPAC Name: [3-[2-(4-cyano-3-hydroxyphenyl)ethoxy]phenyl] 2-methoxy-5-methylbenzenesulfonate Traditional Name: 2-methoxy-5-methyl-benzenesulfonic acid [3-[2-(4-cyano-3-hydroxy-phenyl)ethoxy]phenyl] ester Formula: C23H21NO6S MolecularWeight: 439.48094

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO6S/c1-16-6-9-22(28-2)23(12-16)31(26,27)30-20-5-3-4-19(14-20)29-11-10-17-7-8-18(15-24)21(25)13-17/h3-9,12-14,25H,10-11H2,1-2H3