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docosyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

docosyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name:docosyl 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate
Openeye Name:docosyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
CAS Name:2-(1H-benzimidazol-2-ylthio)acetic acid docosyl ester
IUPAC Name:docosyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
Traditional Name:2-(1H-benzimidazol-2-ylthio)acetic acid behenyl ester
Formula: C31H52N2O2S
MolecularWeight: 516.82178
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CSC1=NC2=CC=CC=C2N1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)CSC1=NC2=CC=CC=C2N1


InChI

InChI=1S/C31H52N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-30(34)27-36-31-32-28-24-21-22-25-29(28)33-31/h21-22,24-25H,2-20,23,26-27H2,1H3,(H,32,33)


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