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dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)

dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)

Systemtic Name:dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)
Openeye Name:dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)
CAS Name:dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)
IUPAC Name:dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)
Traditional Name:dialuminum 2-(1,3-benzothiazol-2-yl)-2-(2-ethoxyethyl)butanebis(thioate)
Formula: C45H45Al2N3O9S9
MolecularWeight: 1114.401576
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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Al+3].[Al+3]


Isomeric SMILES

CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].CCOCCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].[Al+3].[Al+3]


InChI

InChI=1S/3C15H17NO3S3.2Al/c3*1-2-19-8-7-15(14(18)21,9-12(17)20)13-16-10-5-3-4-6-11(10)22-13;;/h3*3-6H,2,7-9H2,1H3,(H,17,20)(H,18,21);;/q;;;2*+3/p-6


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