2-bromanyl-5-butan-2-ylsulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-butan-2-ylsulfonyl-benzoic acid Openeye Name: 2-bromo-5-sec-butylsulfonyl-benzoic acid CAS Name: 2-bromo-5-butan-2-ylsulfonylbenzoic acid IUPAC Name: 2-bromo-5-butan-2-ylsulfonylbenzoic acid Traditional Name: 2-bromo-5-sec-butylsulfonyl-benzoic acid Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C11H13BrO4S/c1-3-7(2)17(15,16)8-4-5-10(12)9(6-8)11(13)14/h4-7H,3H2,1-2H3,(H,13,14)