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

Systemtic Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Openeye Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide CAS Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide IUPAC Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Traditional Name: 2-[(E,3Z)-3-(3-behenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide Formula: C42H63IN2O2 MolecularWeight: 754.86629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C42H63N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-44-38-30-24-26-32-40(38)46-42(44)34-28-33-41-43(35-4-2)37-29-23-25-31-39(37)45-41;/h23-26,28-34H,3-22,27,35-36H2,1-2H3;1H/q+1;/p-1