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3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium

3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium

Systemtic Name:3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium
Openeye Name:3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium
CAS Name:3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium
IUPAC Name:3-[(4-octadecoxyphenyl)methyl]-1,3-benzothiazol-3-ium
Traditional Name:3-(4-stearyloxybenzyl)-1,3-benzothiazol-3-ium
Formula: C32H48NOS+
MolecularWeight: 494.79462
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32


InChI

InChI=1S/C32H48NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-34-30-24-22-29(23-25-30)27-33-28-35-32-21-18-17-20-31(32)33/h17-18,20-25,28H,2-16,19,26-27H2,1H3/q+1


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