4-[1-bromanyl-4,5-bis(fluoranyl)pentyl]benzenesulfonic acid

Systemtic Name: 4-[1-bromanyl-4,5-bis(fluoranyl)pentyl]benzenesulfonic acid Openeye Name: 4-(1-bromo-4,5-difluoro-pentyl)benzenesulfonic acid CAS Name: 4-(1-bromo-4,5-difluoropentyl)benzenesulfonic acid IUPAC Name: 4-(1-bromo-4,5-difluoropentyl)benzenesulfonic acid Traditional Name: 4-(1-bromo-4,5-difluoro-pentyl)besylic acid Formula: C11H13BrF2O3S MolecularWeight: 343.184926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC(CF)F)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CCC(CF)F)Br)S(=O)(=O)O

InChI

InChI=1S/C11H13BrF2O3S/c12-11(6-3-9(14)7-13)8-1-4-10(5-2-8)18(15,16)17/h1-2,4-5,9,11H,3,6-7H2,(H,15,16,17)