3-(2-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(2-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 3-(2-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(2-butyl-4-hydroxyphenyl)propanoate IUPAC Name: 3-(2-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(2-butyl-4-hydroxy-phenyl)propionate Formula: C13H17O3- MolecularWeight: 221.27228

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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)/p-1