3-dodecyl-2-[3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride

Systemtic Name: 3-dodecyl-2-[3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride Openeye Name: 3-dodecyl-2-[3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride CAS Name: 3-dodecyl-2-[3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride IUPAC Name: 3-dodecyl-2-[3-(3-dodecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride Traditional Name: 3-lauryl-2-[3-(3-lauryl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole chloride Formula: C41H61ClN2S2 MolecularWeight: 681.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C41H61N2S2.ClH/c1-3-5-7-9-11-13-15-17-19-25-34-42-36-28-21-23-30-38(36)44-40(42)32-27-33-41-43(37-29-22-24-31-39(37)45-41)35-26-20-18-16-14-12-10-8-6-4-2;/h21-24,27-33H,3-20,25-26,34-35H2,1-2H3;1H/q+1;/p-1