2-bromanyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C12H13BrO4S MolecularWeight: 333.19822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4S/c1-8(2)5-6-18(16,17)9-3-4-11(13)10(7-9)12(14)15/h3-5,7H,6H2,1-2H3,(H,14,15)