2-methyl-5-pentylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-pentylsulfonyl-benzoic acid Openeye Name: 2-methyl-5-pentylsulfonyl-benzoic acid CAS Name: 2-methyl-5-pentylsulfonylbenzoic acid IUPAC Name: 2-methyl-5-pentylsulfonylbenzoic acid Traditional Name: 5-amylsulfonyl-2-methyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-3-4-5-8-18(16,17)11-7-6-10(2)12(9-11)13(14)15/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)