4-[3-(5-hexanoyl-2-oxidanyl-phenyl)propyl]benzoic acid

Systemtic Name: 4-[3-(5-hexanoyl-2-oxidanyl-phenyl)propyl]benzoic acid Openeye Name: 4-[3-(5-hexanoyl-2-hydroxy-phenyl)propyl]benzoic acid CAS Name: 4-[3-[2-hydroxy-5-(1-oxohexyl)phenyl]propyl]benzoic acid IUPAC Name: 4-[3-(5-hexanoyl-2-hydroxyphenyl)propyl]benzoic acid Traditional Name: 4-[3-(5-caproyl-2-hydroxy-phenyl)propyl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1)O)CCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1)O)CCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H26O4/c1-2-3-4-8-20(23)19-13-14-21(24)18(15-19)7-5-6-16-9-11-17(12-10-16)22(25)26/h9-15,24H,2-8H2,1H3,(H,25,26)