3-hexadecyl-2-[5-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole

Systemtic Name: 3-hexadecyl-2-[5-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole Openeye Name: 3-hexadecyl-2-[5-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole CAS Name: 3-hexadecyl-2-[5-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole IUPAC Name: 3-hexadecyl-2-[5-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole Traditional Name: 3-cetyl-2-[5-(3-cetyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole Formula: C51H79N2S2+ MolecularWeight: 784.31636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H79N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-44-52-46-38-32-34-40-48(46)54-50(52)42-30-29-31-43-51-53(47-39-33-35-41-49(47)55-51)45-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-35,38-43H,3-28,36-37,44-45H2,1-2H3/q+1