2-(4-butoxyphenyl)sulfonylpropanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfonylpropanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfonylpropanoic acid CAS Name: 2-(4-butoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-(4-butoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-(4-butoxyphenyl)sulfonylpropionic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)O

InChI

InChI=1S/C13H18O5S/c1-3-4-9-18-11-5-7-12(8-6-11)19(16,17)10(2)13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)