2-(hexadecylsulfanylmethyl)pent-3-yn-1-ol

Systemtic Name: 2-(hexadecylsulfanylmethyl)pent-3-yn-1-ol Openeye Name: 2-(hexadecylsulfanylmethyl)pent-3-yn-1-ol CAS Name: 2-[(hexadecylthio)methyl]-3-pentyn-1-ol IUPAC Name: 2-(hexadecylsulfanylmethyl)pent-3-yn-1-ol Traditional Name: 2-[(cetylthio)methyl]pent-3-yn-1-ol Formula: C22H42OS MolecularWeight: 354.63328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)C#CC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)C#CC

InChI

InChI=1S/C22H42OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22(20-23)18-4-2/h22-23H,3,5-17,19-21H2,1-2H3