2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 2-methyl-3-[10-(2-methyl-1,3-benzothiazol-3-ium-3-yl)decyl]-1,3-benzothiazol-3-ium diiodide Formula: C26H34I2N2S2 MolecularWeight: 692.5005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCCCCCCCC[N+]3=C(SC4=CC=CC=C43)C.[I-].[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCCCCCCCC[N+]3=C(SC4=CC=CC=C43)C.[I-].[I-]

InChI

InChI=1S/C26H34N2S2.2HI/c1-21-27(23-15-9-11-17-25(23)29-21)19-13-7-5-3-4-6-8-14-20-28-22(2)30-26-18-12-10-16-24(26)28;;/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3;2*1H/q+2;;/p-2