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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); tris(2-hydroxyethyl)azanium Openeye Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); tris(2-hydroxyethyl)ammonium CAS Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); tris(2-hydroxyethyl)azanium Traditional Name: 2-(1,3-benzothiazol-2-yl)butanebis(thioate); tris(2-hydroxyethyl)ammonium Formula: C23H39N3O8S3 MolecularWeight: 581.76606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=S)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(CC(=S)[O-])C(=S)[O-].C(CO)[NH+](CCO)CCO.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C11H9NO2S3.2C6H15NO3/c13-9(15)5-6(11(14)16)10-12-7-3-1-2-4-8(7)17-10;2*8-4-1-7(2-5-9)3-6-10/h1-4,6H,5H2,(H,13,15)(H,14,16);2*8-10H,1-6H2