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

Systemtic Name: 3-hexadecyl-2-[3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: 3-hexadecyl-2-[3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: 3-hexadecyl-2-[3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: 3-hexadecyl-2-[3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: 3-cetyl-2-[3-(3-cetyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C49H77N2S2+ MolecularWeight: 758.27908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H77N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-42-50-44-36-29-31-38-46(44)52-48(50)40-35-41-49-51(45-37-30-32-39-47(45)53-49)43-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35-41H,3-28,33-34,42-43H2,1-2H3/q+1