5-chloranyl-2-methoxy-3-pentylsulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-pentylsulfonyl-benzoic acid Openeye Name: 5-chloro-2-methoxy-3-pentylsulfonyl-benzoic acid CAS Name: 5-chloro-2-methoxy-3-pentylsulfonylbenzoic acid IUPAC Name: 5-chloro-2-methoxy-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-5-chloro-2-methoxy-benzoic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO5S/c1-3-4-5-6-20(17,18)11-8-9(14)7-10(13(15)16)12(11)19-2/h7-8H,3-6H2,1-2H3,(H,15,16)