[4-(3-oxidanylidenebutyl)phenyl] 4-bromanyl-2-chloranyl-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-bromanyl-2-chloranyl-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-bromo-2-chloro-benzenesulfonate CAS Name: 4-bromo-2-chlorobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-bromo-2-chlorobenzenesulfonate Traditional Name: 4-bromo-2-chloro-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H14BrClO4S MolecularWeight: 417.70196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H14BrClO4S/c1-11(19)2-3-12-4-7-14(8-5-12)22-23(20,21)16-9-6-13(17)10-15(16)18/h4-10H,2-3H2,1H3