2-bromanyl-5-hexylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-hexylsulfonyl-benzoic acid Openeye Name: 2-bromo-5-hexylsulfonyl-benzoic acid CAS Name: 2-bromo-5-hexylsulfonylbenzoic acid IUPAC Name: 2-bromo-5-hexylsulfonylbenzoic acid Traditional Name: 2-bromo-5-hexylsulfonyl-benzoic acid Formula: C13H17BrO4S MolecularWeight: 349.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO4S/c1-2-3-4-5-8-19(17,18)10-6-7-12(14)11(9-10)13(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16)