(2Z)-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-octyl-1,3-benzoxazole

Systemtic Name: (2Z)-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-octyl-1,3-benzoxazole Openeye Name: (2Z)-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-octyl-1,3-benzoxazole CAS Name: (2Z)-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-octyl-1,3-benzoxazole IUPAC Name: (2Z)-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-octyl-1,3-benzoxazole Traditional Name: 2-[(E,3Z)-3-(3-octyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-stearyl-1,3-benzoxazol-3-ium Formula: C43H65N2O2+ MolecularWeight: 641.9884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(OC2=CC=CC=C21)C=CC=C3N(C4=CC=CC=C4O3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(OC2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4O3)CCCCCCCC

InChI

InChI=1S/C43H65N2O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-28-37-45-39-31-24-26-33-41(39)47-43(45)35-29-34-42-44(36-27-21-10-8-6-4-2)38-30-23-25-32-40(38)46-42/h23-26,29-35H,3-22,27-28,36-37H2,1-2H3/q+1