[4-(cyanomethyl)phenyl] 3-bromanyl-5-chloranyl-2-methoxy-benzenesulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-bromanyl-5-chloranyl-2-methoxy-benzenesulfonate Openeye Name: [4-(cyanomethyl)phenyl] 3-bromo-5-chloro-2-methoxy-benzenesulfonate CAS Name: 3-bromo-5-chloro-2-methoxybenzenesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-bromo-5-chloro-2-methoxybenzenesulfonate Traditional Name: 3-bromo-5-chloro-2-methoxy-benzenesulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C15H11BrClNO4S MolecularWeight: 416.67414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)OC2=CC=C(C=C2)CC#N)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)OC2=CC=C(C=C2)CC#N)Cl)Br

InChI

InChI=1S/C15H11BrClNO4S/c1-21-15-13(16)8-11(17)9-14(15)23(19,20)22-12-4-2-10(3-5-12)6-7-18/h2-5,8-9H,6H2,1H3