2-bromanyl-5-[(E)-but-2-enyl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[(E)-but-2-enyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(E)-but-2-enyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(E)-but-2-enyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[(E)-but-2-enyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[(E)-but-2-enyl]sulfonyl-benzoic acid Formula: C11H11BrO4S MolecularWeight: 319.17164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C11H11BrO4S/c1-2-3-6-17(15,16)8-4-5-10(12)9(7-8)11(13)14/h2-5,7H,6H2,1H3,(H,13,14)/b3-2+