2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tris(2-hydroxyethyl)azanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tris(2-hydroxyethyl)azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tris(2-hydroxyethyl)ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate); tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-methylbutanebis(thioate); tris(2-hydroxyethyl)azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-methyl-butanebis(thioate); tris(2-hydroxyethyl)ammonium Formula: C24H41N3O8S3 MolecularWeight: 595.79264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2S3.2C6H15NO3/c1-12(11(15)17,6-9(14)16)10-13-7-4-2-3-5-8(7)18-10;2*8-4-1-7(2-5-9)3-6-10/h2-5H,6H2,1H3,(H,14,16)(H,15,17);2*8-10H,1-6H2