4-chloranyl-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-isobutylsulfonyl-benzoic acid CAS Name: 4-chloro-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-isobutylsulfonyl-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClO4S/c1-7(2)6-17(15,16)10-5-8(11(13)14)3-4-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)