4-bromanyl-3-butan-2-ylsulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-butan-2-ylsulfonyl-benzoic acid Openeye Name: 4-bromo-3-sec-butylsulfonyl-benzoic acid CAS Name: 4-bromo-3-butan-2-ylsulfonylbenzoic acid IUPAC Name: 4-bromo-3-butan-2-ylsulfonylbenzoic acid Traditional Name: 4-bromo-3-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=C(C=CC(=C1)C(=O)O)Br

Isomeric SMILES

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

InChI

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