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3-hexadecyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

3-hexadecyl-2-methylsulfanyl-1,3-benzothiazol-3-ium

Systemtic Name:3-hexadecyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
Openeye Name:3-hexadecyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
CAS Name:3-hexadecyl-2-(methylthio)-1,3-benzothiazol-3-ium
IUPAC Name:3-hexadecyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
Traditional Name:3-cetyl-2-(methylthio)-1,3-benzothiazol-3-ium
Formula: C24H40NS2+
MolecularWeight: 406.7111
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)SC


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)SC


InChI

InChI=1S/C24H40NS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22-19-16-17-20-23(22)27-24(25)26-2/h16-17,19-20H,3-15,18,21H2,1-2H3/q+1


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