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calcium 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate)

calcium 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate)

Systemtic Name:calcium 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate)
Openeye Name:calcium 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate)
CAS Name:calcium 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioate)
IUPAC Name:calcium 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioate)
Traditional Name:calcium 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate)
Formula: C13H11CaNO2S3
MolecularWeight: 349.50494
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Ca+2]


Isomeric SMILES

CCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Ca+2]


InChI

InChI=1S/C13H13NO2S3.Ca/c1-2-13(12(16)18,7-10(15)17)11-14-8-5-3-4-6-9(8)19-11;/h3-6H,2,7H2,1H3,(H,15,17)(H,16,18);/q;+2/p-2


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