4-ethyl-3-hexylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-hexylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-hexylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-hexylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-hexylsulfonylbenzoic acid Traditional Name: 4-ethyl-3-hexylsulfonyl-benzoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)CC

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)CC

InChI

InChI=1S/C15H22O4S/c1-3-5-6-7-10-20(18,19)14-11-13(15(16)17)9-8-12(14)4-2/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)