(4-cyano-2-methoxy-phenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate Openeye Name: (4-cyano-2-methoxy-phenyl) 2,5-dichloro-3,6-dimethyl-benzenesulfonate CAS Name: 2,5-dichloro-3,6-dimethylbenzenesulfonic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 2,5-dichloro-3,6-dimethylbenzenesulfonate Traditional Name: 2,5-dichloro-3,6-dimethyl-benzenesulfonic acid (4-cyano-2-methoxy-phenyl) ester Formula: C16H13Cl2NO4S MolecularWeight: 386.24972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO4S/c1-9-6-12(17)10(2)16(15(9)18)24(20,21)23-13-5-4-11(8-19)7-14(13)22-3/h4-7H,1-3H3