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

Systemtic Name: (2Z)-3-hexadecyl-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Openeye Name: (2Z)-3-hexadecyl-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole CAS Name: (2Z)-3-hexadecyl-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole IUPAC Name: (2Z)-3-hexadecyl-2-[(E)-3-(3-hexadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Traditional Name: (2Z)-3-cetyl-2-[(E)-3-(3-cetyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole Formula: C49H77N2OS+ MolecularWeight: 742.21348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H77N2OS/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