4-methyl-3-pentylsulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-pentylsulfonyl-benzoic acid Openeye Name: 4-methyl-3-pentylsulfonyl-benzoic acid CAS Name: 4-methyl-3-pentylsulfonylbenzoic acid IUPAC Name: 4-methyl-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-4-methyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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