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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1O)CCC(=O)O

Isomeric SMILES

CCCCC1=CC=CC(=C1O)CCC(=O)O

InChI

InChI=1S/C13H18O3/c1-2-3-5-10-6-4-7-11(13(10)16)8-9-12(14)15/h4,6-7,16H,2-3,5,8-9H2,1H3,(H,14,15)