[4-(cyanomethyl)phenyl] 4-chloranyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 4-chloranyl-2,5-dimethyl-benzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 4-chloro-2,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-2,5-dimethylbenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 4-chloro-2,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-2,5-dimethyl-benzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H14ClNO3S/c1-11-10-16(12(2)9-15(11)17)22(19,20)21-14-5-3-13(4-6-14)7-8-18/h3-6,9-10H,7H2,1-2H3