methyl 4-[4-(6-fluoranyl-1-oxidanyl-hexyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(6-fluoranyl-1-oxidanyl-hexyl)phenyl]butanoate Openeye Name: methyl 4-[4-(6-fluoro-1-hydroxy-hexyl)phenyl]butanoate CAS Name: 4-[4-(6-fluoro-1-hydroxyhexyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(6-fluoro-1-hydroxyhexyl)phenyl]butanoate Traditional Name: 4-[4-(6-fluoro-1-hydroxy-hexyl)phenyl]butyric acid methyl ester Formula: C17H25FO3 MolecularWeight: 296.377003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCF)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(CCCCCF)O

InChI

InChI=1S/C17H25FO3/c1-21-17(20)8-5-6-14-9-11-15(12-10-14)16(19)7-3-2-4-13-18/h9-12,16,19H,2-8,13H2,1H3