2-(4-tert-butylphenyl)sulfonylpropanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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