3-hexylsulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-hexylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-hexylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-hexylsulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-hexylsulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-hexylsulfonyl-4,5-dimethyl-benzoic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC(=CC(=C1C)C)C(=O)O

InChI

InChI=1S/C15H22O4S/c1-4-5-6-7-8-20(18,19)14-10-13(15(16)17)9-11(2)12(14)3/h9-10H,4-8H2,1-3H3,(H,16,17)