2-[(E,3E)-3-(3-octadecyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-pentyl-1,3-benzoxazol-3-ium iodide

Systemtic Name: 2-[(E,3E)-3-(3-octadecyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-pentyl-1,3-benzoxazol-3-ium iodide Openeye Name: 2-[(E,3E)-3-(3-octadecyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-pentyl-1,3-benzoxazol-3-ium iodide CAS Name: 2-[(E,3E)-3-(3-octadecyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-pentyl-1,3-benzoxazol-3-ium iodide IUPAC Name: 2-[(E,3E)-3-(3-octadecyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-pentyl-1,3-benzoxazol-3-ium iodide Traditional Name: (2E)-2-[(E)-3-(3-amyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-3-stearyl-1,3-benzoxazole iodide Formula: C40H59IN2O2 MolecularWeight: 726.81313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C40H59N2O2.HI/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-34-42-36-28-21-23-30-38(36)44-40(42)32-26-31-39-41(33-24-6-4-2)35-27-20-22-29-37(35)43-39;/h20-23,26-32H,3-19,24-25,33-34H2,1-2H3;1H/q+1;/p-1