3-azanyl-2-(hexadecylsulfanylmethyl)butan-1-ol

Systemtic Name: 3-azanyl-2-(hexadecylsulfanylmethyl)butan-1-ol Openeye Name: 3-amino-2-(hexadecylsulfanylmethyl)butan-1-ol CAS Name: 3-amino-2-[(hexadecylthio)methyl]-1-butanol IUPAC Name: 3-amino-2-(hexadecylsulfanylmethyl)butan-1-ol Traditional Name: 3-amino-2-[(cetylthio)methyl]butan-1-ol Formula: C21H45NOS MolecularWeight: 359.6531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)C(C)N

InChI

InChI=1S/C21H45NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-23)20(2)22/h20-21,23H,3-19,22H2,1-2H3