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

Systemtic Name: 2-[(E,3E)-3-(3-icosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Openeye Name: 2-[(E,3E)-3-(3-icosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide CAS Name: 2-[(E,3E)-3-(3-eicosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide IUPAC Name: 2-[(E,3E)-3-(3-icosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Traditional Name: 2-[(E,3E)-3-(3-arachyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Formula: C40H59IN2O2 MolecularWeight: 726.81313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C40H59N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-42-36-28-22-24-30-38(36)44-40(42)32-26-31-39-41(33-4-2)35-27-21-23-29-37(35)43-39;/h21-24,26-32H,3-20,25,33-34H2,1-2H3;1H/q+1;/p-1