2-(4-butan-2-ylphenyl)sulfonylpropanoic acid

Systemtic Name: 2-(4-butan-2-ylphenyl)sulfonylpropanoic acid Openeye Name: 2-(4-sec-butylphenyl)sulfonylpropanoic acid CAS Name: 2-(4-butan-2-ylphenyl)sulfonylpropanoic acid IUPAC Name: 2-(4-butan-2-ylphenyl)sulfonylpropanoic acid Traditional Name: 2-(4-sec-butylphenyl)sulfonylpropionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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