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

Systemtic Name: 3-butylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-butylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-butylsulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-butylsulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-butylsulfonyl-4,5-dimethyl-benzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-4-5-6-18(16,17)12-8-11(13(14)15)7-9(2)10(12)3/h7-8H,4-6H2,1-3H3,(H,14,15)