4-bromanyl-2-pentyl-benzenesulfonic acid

Systemtic Name: 4-bromanyl-2-pentyl-benzenesulfonic acid Openeye Name: 4-bromo-2-pentyl-benzenesulfonic acid CAS Name: 4-bromo-2-pentylbenzenesulfonic acid IUPAC Name: 4-bromo-2-pentylbenzenesulfonic acid Traditional Name: 2-amyl-4-bromo-besylic acid Formula: C11H15BrO3S MolecularWeight: 307.204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)Br)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)Br)S(=O)(=O)O

InChI

InChI=1S/C11H15BrO3S/c1-2-3-4-5-9-8-10(12)6-7-11(9)16(13,14)15/h6-8H,2-5H2,1H3,(H,13,14,15)