2,5-bis(chloranyl)-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 2,5-dichloro-3-isobutylsulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 2,5-dichloro-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 2,5-dichloro-3-isobutylsulfonyl-benzoic acid Formula: C11H12Cl2O4S MolecularWeight: 311.18158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

CC(C)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H12Cl2O4S/c1-6(2)5-18(16,17)9-4-7(12)3-8(10(9)13)11(14)15/h3-4,6H,5H2,1-2H3,(H,14,15)