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18-(1H-benzimidazol-2-ylsulfanyl)octadecanoic acid

18-(1H-benzimidazol-2-ylsulfanyl)octadecanoic acid

Systemtic Name:18-(1H-benzimidazol-2-ylsulfanyl)octadecanoic acid
Openeye Name:18-(1H-benzimidazol-2-ylsulfanyl)octadecanoic acid
CAS Name:18-(1H-benzimidazol-2-ylthio)octadecanoic acid
IUPAC Name:18-(1H-benzimidazol-2-ylsulfanyl)octadecanoic acid
Traditional Name:18-(1H-benzimidazol-2-ylthio)stearic acid
Formula: C25H40N2O2S
MolecularWeight: 432.6623
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCCCCCCCCCCCCCCCC(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCCCCCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C25H40N2O2S/c28-24(29)20-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-21-30-25-26-22-18-15-16-19-23(22)27-25/h15-16,18-19H,1-14,17,20-21H2,(H,26,27)(H,28,29)


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