(2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: (2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-octyl-2-[(E)-3-(3-octyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C33H45N2S2+ MolecularWeight: 533.8538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCC

Isomeric SMILES

CCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCCCCCC

InChI

InChI=1S/C33H45N2S2/c1-3-5-7-9-11-17-26-34-28-20-13-15-22-30(28)36-32(34)24-19-25-33-35(27-18-12-10-8-6-4-2)29-21-14-16-23-31(29)37-33/h13-16,19-25H,3-12,17-18,26-27H2,1-2H3/q+1