2,4-bis(chloranyl)-5-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 2,4-dichloro-5-isopentylsulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 2,4-dichloro-5-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 2,4-dichloro-5-isoamylsulfonyl-benzoic acid Formula: C12H14Cl2O4S MolecularWeight: 325.20816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2O4S/c1-7(2)3-4-19(17,18)11-5-8(12(15)16)9(13)6-10(11)14/h5-7H,3-4H2,1-2H3,(H,15,16)