2-[(E,3Z)-3-(1,1-dioctadecyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole

Systemtic Name: 2-[(E,3Z)-3-(1,1-dioctadecyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole Openeye Name: 2-[(E,3Z)-3-(1,1-dioctadecyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole CAS Name: 2-[(E,3Z)-3-(1,1-dioctadecyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole IUPAC Name: 2-[(E,3Z)-3-(1,1-dioctadecyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole Traditional Name: 2-[(E,3Z)-3-(1,1-distearyl-3H-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1,3-benzothiazole Formula: C53H86N2S2 MolecularWeight: 815.39334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS1(C2=CC=CC=C2NC1=CC=CC3=NC4=CC=CC=C4S3)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS\1(C2=CC=CC=C2N/C1=C/C=C/C3=NC4=CC=CC=C4S3)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H86N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-57(47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-43-36-34-41-49(51)55-53(57)45-39-44-52-54-48-40-33-35-42-50(48)56-52/h33-36,39-45,55H,3-32,37-38,46-47H2,1-2H3/b44-39+,53-45-