3-(4-butoxyphenyl)sulfonylpropanoic acid

Systemtic Name: 3-(4-butoxyphenyl)sulfonylpropanoic acid Openeye Name: 3-(4-butoxyphenyl)sulfonylpropanoic acid CAS Name: 3-(4-butoxyphenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-butoxyphenyl)sulfonylpropanoic acid Traditional Name: 3-(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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-2-3-9-18-11-4-6-12(7-5-11)19(16,17)10-8-13(14)15/h4-7H,2-3,8-10H2,1H3,(H,14,15)