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1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole ethanoate

1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole ethanoate

Systemtic Name:1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole ethanoate
Openeye Name:1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole acetate
CAS Name:1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole acetate
IUPAC Name:1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole acetate
Traditional Name:1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole acetate
Formula: C17H29N2O2S2-
MolecularWeight: 357.55436
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(SCCS1)CN2C=CN=C2.CC(=O)[O-]


Isomeric SMILES

CCCCCCCCC1(SCCS1)CN2C=CN=C2.CC(=O)[O-]


InChI

InChI=1S/C15H26N2S2.C2H4O2/c1-2-3-4-5-6-7-8-15(18-11-12-19-15)13-17-10-9-16-14-17;1-2(3)4/h9-10,14H,2-8,11-13H2,1H3;1H3,(H,3,4)/p-1


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