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2-(1,3-benzothiazol-2-ylsulfanylmethyl)icosanoic acid

2-(1,3-benzothiazol-2-ylsulfanylmethyl)icosanoic acid

Systemtic Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)icosanoic acid
Openeye Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)icosanoic acid
CAS Name:2-[(1,3-benzothiazol-2-ylthio)methyl]eicosanoic acid
IUPAC Name:2-(1,3-benzothiazol-2-ylsulfanylmethyl)icosanoic acid
Traditional Name:2-[(1,3-benzothiazol-2-ylthio)methyl]arachidic acid
Formula: C28H45NO2S2
MolecularWeight: 491.7924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CSC1=NC2=CC=CC=C2S1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CSC1=NC2=CC=CC=C2S1)C(=O)O


InChI

InChI=1S/C28H45NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(27(30)31)23-32-28-29-25-21-18-19-22-26(25)33-28/h18-19,21-22,24H,2-17,20,23H2,1H3,(H,30,31)


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