4-chloranyl-3-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-isopentylsulfonyl-benzoic acid CAS Name: 4-chloro-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-isoamylsulfonyl-benzoic acid Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO4S/c1-8(2)5-6-18(16,17)11-7-9(12(14)15)3-4-10(11)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)