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

Systemtic Name: 4-(4-decylsulfanyl-3-fluoranyl-phenyl)-2-methyl-but-3-yn-2-ol Openeye Name: 4-(4-decylsulfanyl-3-fluoro-phenyl)-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-(decylthio)-3-fluorophenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-(4-decylsulfanyl-3-fluorophenyl)-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-(decylthio)-3-fluoro-phenyl]-2-methyl-but-3-yn-2-ol Formula: C21H31FOS MolecularWeight: 350.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C=C(C=C1)C#CC(C)(C)O)F

Isomeric SMILES

CCCCCCCCCCSC1=C(C=C(C=C1)C#CC(C)(C)O)F

InChI

InChI=1S/C21H31FOS/c1-4-5-6-7-8-9-10-11-16-24-20-13-12-18(17-19(20)22)14-15-21(2,3)23/h12-13,17,23H,4-11,16H2,1-3H3