5-chloranyl-2-methoxy-3-(2-methylpropylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-(2-methylpropylsulfonyl)benzoic acid Openeye Name: 5-chloro-3-isobutylsulfonyl-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-3-(2-methylpropylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-3-(2-methylpropylsulfonyl)benzoic acid Traditional Name: 5-chloro-3-isobutylsulfonyl-2-methoxy-benzoic acid Formula: C12H15ClO5S MolecularWeight: 306.7625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO5S/c1-7(2)6-19(16,17)10-5-8(13)4-9(12(14)15)11(10)18-3/h4-5,7H,6H2,1-3H3,(H,14,15)