3-butan-2-ylsulfonyl-2,6-bis(chloranyl)benzoic acid

Systemtic Name: 3-butan-2-ylsulfonyl-2,6-bis(chloranyl)benzoic acid Openeye Name: 2,6-dichloro-3-sec-butylsulfonyl-benzoic acid CAS Name: 3-butan-2-ylsulfonyl-2,6-dichlorobenzoic acid IUPAC Name: 3-butan-2-ylsulfonyl-2,6-dichlorobenzoic acid Traditional Name: 2,6-dichloro-3-sec-butylsulfonyl-benzoic acid Formula: C11H12Cl2O4S MolecularWeight: 311.18158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CCC(C)S(=O)(=O)C1=C(C(=C(C=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H12Cl2O4S/c1-3-6(2)18(16,17)8-5-4-7(12)9(10(8)13)11(14)15/h4-6H,3H2,1-2H3,(H,14,15)