4-(3-fluoranyl-4-hexadecoxy-phenyl)-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-(3-fluoranyl-4-hexadecoxy-phenyl)-2-methyl-but-3-yn-2-ol Openeye Name: 4-(3-fluoro-4-hexadecoxy-phenyl)-2-methyl-but-3-yn-2-ol CAS Name: 4-(3-fluoro-4-hexadecoxyphenyl)-2-methyl-3-butyn-2-ol IUPAC Name: 4-(3-fluoro-4-hexadecoxyphenyl)-2-methylbut-3-yn-2-ol Traditional Name: 4-(4-cetyloxy-3-fluoro-phenyl)-2-methyl-but-3-yn-2-ol Formula: C27H43FO2 MolecularWeight: 418.627523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(C)(C)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C#CC(C)(C)O)F

InChI

InChI=1S/C27H43FO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-26-19-18-24(23-25(26)28)20-21-27(2,3)29/h18-19,23,29H,4-17,22H2,1-3H3