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diazanium 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioate)

diazanium 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioate)

Systemtic Name:diazanium 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioate)
Openeye Name:diammonium 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioate)
CAS Name:diammonium 2-(1,3-benzothiazol-2-yl)-2-octylbutanebis(thioate)
IUPAC Name:diazanium 2-(1,3-benzothiazol-2-yl)-2-octylbutanebis(thioate)
Traditional Name:diammonium 2-(1,3-benzothiazol-2-yl)-2-octyl-butanebis(thioate)
Formula: C19H31N3O2S3
MolecularWeight: 429.66334
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[NH4+].[NH4+]


Isomeric SMILES

CCCCCCCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[NH4+].[NH4+]


InChI

InChI=1S/C19H25NO2S3.2H3N/c1-2-3-4-5-6-9-12-19(18(22)24,13-16(21)23)17-20-14-10-7-8-11-15(14)25-17;;/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,21,23)(H,22,24);2*1H3


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