2-bromanyl-5-(cyanomethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(cyanomethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(cyanomethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(cyanomethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(cyanomethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(cyanomethylsulfonyl)benzoic acid Formula: C9H6BrNO4S MolecularWeight: 304.11724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC#N)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CC#N)C(=O)O)Br

InChI

InChI=1S/C9H6BrNO4S/c10-8-2-1-6(5-7(8)9(12)13)16(14,15)4-3-11/h1-2,5H,4H2,(H,12,13)