2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tributylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tributylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tributylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate); tributylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate); tributylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tributylammonium Formula: C36H65N3O2S3 MolecularWeight: 668.1152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-]

InChI

InChI=1S/C12H11NO2S3.2C12H27N/c1-12(11(15)17,6-9(14)16)10-13-7-4-2-3-5-8(7)18-10;2*1-4-7-10-13(11-8-5-2)12-9-6-3/h2-5H,6H2,1H3,(H,14,16)(H,15,17);2*4-12H2,1-3H3