2-(2-bromanyl-1-oxidanylidene-pentan-2-yl)benzenesulfonic acid

Systemtic Name: 2-(2-bromanyl-1-oxidanylidene-pentan-2-yl)benzenesulfonic acid Openeye Name: 2-(1-bromo-1-formyl-butyl)benzenesulfonic acid CAS Name: 2-(2-bromo-1-oxopentan-2-yl)benzenesulfonic acid IUPAC Name: 2-(2-bromo-1-oxopentan-2-yl)benzenesulfonic acid Traditional Name: 2-(1-bromo-1-formyl-butyl)besylic acid Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)(C1=CC=CC=C1S(=O)(=O)O)Br

Isomeric SMILES

CCCC(C=O)(C1=CC=CC=C1S(=O)(=O)O)Br

InChI

InChI=1S/C11H13BrO4S/c1-2-7-11(12,8-13)9-5-3-4-6-10(9)17(14,15)16/h3-6,8H,2,7H2,1H3,(H,14,15,16)