2-bromanyl-5-pentylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-pentylsulfonyl-benzoic acid Openeye Name: 2-bromo-5-pentylsulfonyl-benzoic acid CAS Name: 2-bromo-5-pentylsulfonylbenzoic acid IUPAC Name: 2-bromo-5-pentylsulfonylbenzoic acid Traditional Name: 5-amylsulfonyl-2-bromo-benzoic acid Formula: C12H15BrO4S MolecularWeight: 335.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrO4S/c1-2-3-4-7-18(16,17)9-5-6-11(13)10(8-9)12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)