2-(4-pentylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-(4-pentylsulfonylphenyl)ethanoic acid Openeye Name: 2-(4-pentylsulfonylphenyl)acetic acid CAS Name: 2-(4-pentylsulfonylphenyl)acetic acid IUPAC Name: 2-(4-pentylsulfonylphenyl)acetic acid Traditional Name: 2-(4-amylsulfonylphenyl)acetic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-2-3-4-9-18(16,17)12-7-5-11(6-8-12)10-13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)