2-(4-propan-2-ylphenyl)sulfonylbutanoic acid

Systemtic Name: 2-(4-propan-2-ylphenyl)sulfonylbutanoic acid Openeye Name: 2-(4-isopropylphenyl)sulfonylbutanoic acid CAS Name: 2-(4-propan-2-ylphenyl)sulfonylbutanoic acid IUPAC Name: 2-(4-propan-2-ylphenyl)sulfonylbutanoic acid Traditional Name: 2-p-cumenylsulfonylbutyric acid Formula: C13H18O4S MolecularWeight: 270.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C(C)C

Isomeric SMILES

CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C13H18O4S/c1-4-12(13(14)15)18(16,17)11-7-5-10(6-8-11)9(2)3/h5-9,12H,4H2,1-3H3,(H,14,15)