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

Systemtic Name: 3,4-dimethyl-5-pentylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-pentylsulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-pentylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-4,5-dimethyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-5-6-7-19(17,18)13-9-12(14(15)16)8-10(2)11(13)3/h8-9H,4-7H2,1-3H3,(H,15,16)