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

Systemtic Name: 4-bromanyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(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=C(C=CC(=C1)C(=O)O)Br)C

Isomeric SMILES

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

InChI

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