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

Systemtic Name: 3-butan-2-ylsulfonyl-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-sec-butylsulfonyl-benzoic acid CAS Name: 3-butan-2-ylsulfonyl-4-chlorobenzoic acid IUPAC Name: 3-butan-2-ylsulfonyl-4-chlorobenzoic acid Traditional Name: 4-chloro-3-sec-butylsulfonyl-benzoic acid Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClO4S/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)