2-bromanyl-5-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-isopentylsulfonyl-benzoic acid CAS Name: 2-bromo-5-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-isoamylsulfonyl-benzoic acid Formula: C12H15BrO4S MolecularWeight: 335.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrO4S/c1-8(2)5-6-18(16,17)9-3-4-11(13)10(7-9)12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)