3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-[12-(1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium diiodide Formula: C26H34I2N2S2 MolecularWeight: 692.5005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCCCCC[N+]3=CSC4=CC=CC=C43.[I-].[I-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCCCCCCCCC[N+]3=CSC4=CC=CC=C43.[I-].[I-]

InChI

InChI=1S/C26H34N2S2.2HI/c1(3-5-7-13-19-27-21-29-25-17-11-9-15-23(25)27)2-4-6-8-14-20-28-22-30-26-18-12-10-16-24(26)28;;/h9-12,15-18,21-22H,1-8,13-14,19-20H2;2*1H/q+2;;/p-2