8-(2-ethanoyl-4-oxidanyl-phenoxy)octanoic acid

Systemtic Name: 8-(2-ethanoyl-4-oxidanyl-phenoxy)octanoic acid Openeye Name: 8-(2-acetyl-4-hydroxy-phenoxy)octanoic acid CAS Name: 8-(2-acetyl-4-hydroxyphenoxy)octanoic acid IUPAC Name: 8-(2-acetyl-4-hydroxyphenoxy)octanoic acid Traditional Name: 8-(2-acetyl-4-hydroxy-phenoxy)caprylic acid Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)O)OCCCCCCCC(=O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)O)OCCCCCCCC(=O)O

InChI

InChI=1S/C16H22O5/c1-12(17)14-11-13(18)8-9-15(14)21-10-6-4-2-3-5-7-16(19)20/h8-9,11,18H,2-7,10H2,1H3,(H,19,20)