[4-(3-oxidanylidenebutyl)phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H15BrO4S MolecularWeight: 383.2569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO4S/c1-12(18)2-3-13-4-8-15(9-5-13)21-22(19,20)16-10-6-14(17)7-11-16/h4-11H,2-3H2,1H3