(2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide

Systemtic Name: (2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide Openeye Name: (2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide CAS Name: (2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide IUPAC Name: (2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide Traditional Name: (2Z)-3-heptyl-2-[(2E,4E)-5-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide Formula: C33H43IN2O2 MolecularWeight: 626.61119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2OC1=CC=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCC.[I-]

Isomeric SMILES

CCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCCC.[I-]

InChI

InChI=1S/C33H43N2O2.HI/c1-3-5-7-9-18-26-34-28-20-14-16-22-30(28)36-32(34)24-12-11-13-25-33-35(27-19-10-8-6-4-2)29-21-15-17-23-31(29)37-33;/h11-17,20-25H,3-10,18-19,26-27H2,1-2H3;1H/q+1;/p-1