(E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol

Systemtic Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol Openeye Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol CAS Name: (E)-2-[(hexadecylthio)methyl]-2-buten-1-ol IUPAC Name: (E)-2-(hexadecylsulfanylmethyl)but-2-en-1-ol Traditional Name: (E)-2-[(cetylthio)methyl]but-2-en-1-ol Formula: C21H42OS MolecularWeight: 342.62258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(=CC)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCSC/C(=C/C)/CO

InChI

InChI=1S/C21H42OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21(4-2)19-22/h4,22H,3,5-20H2,1-2H3/b21-4+