4-ethyl-3-pentylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-pentylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-pentylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-pentylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-4-ethyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-3-5-6-9-19(17,18)13-10-12(14(15)16)8-7-11(13)4-2/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)