3-(4-tert-butylphenyl)sulfonylpropanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)sulfonylpropanoic acid Openeye Name: 3-(4-tert-butylphenyl)sulfonylpropanoic acid CAS Name: 3-(4-tert-butylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-tert-butylphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-tert-butylphenyl)sulfonylpropionic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-13(2,3)10-4-6-11(7-5-10)18(16,17)9-8-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)