3-(2-butyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(2-butyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(2-butyl-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(2-butyl-4-hydroxyphenyl)propanoic acid IUPAC Name: 3-(2-butyl-4-hydroxyphenyl)propanoic acid Traditional Name: 3-(2-butyl-4-hydroxy-phenyl)propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)O)CCC(=O)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)O)CCC(=O)O

InChI

InChI=1S/C13H18O3/c1-2-3-4-11-9-12(14)7-5-10(11)6-8-13(15)16/h5,7,9,14H,2-4,6,8H2,1H3,(H,15,16)