4,4-dimethylpentan-2-yl 4-bromanylbenzenesulfonate

Systemtic Name: 4,4-dimethylpentan-2-yl 4-bromanylbenzenesulfonate Openeye Name: 1,3,3-trimethylbutyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 4,4-dimethylpentan-2-yl ester IUPAC Name: 4,4-dimethylpentan-2-yl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 1,3,3-trimethylbutyl ester Formula: C13H19BrO3S MolecularWeight: 335.25716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrO3S/c1-10(9-13(2,3)4)17-18(15,16)12-7-5-11(14)6-8-12/h5-8,10H,9H2,1-4H3