3-heptyl-2-[(E,3E)-3-(3-heptyl-3H-1-benzofuran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium

Systemtic Name: 3-heptyl-2-[(E,3E)-3-(3-heptyl-3H-1-benzofuran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Openeye Name: 3-heptyl-2-[(E,3E)-3-(3-heptyl-3H-benzofuran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium CAS Name: 3-heptyl-2-[(E,3E)-3-(3-heptyl-3H-benzofuran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium IUPAC Name: 3-heptyl-2-[(E,3E)-3-(3-heptyl-3H-1-benzofuran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Traditional Name: 3-heptyl-2-[(E,3E)-3-(3-heptylcoumaran-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Formula: C32H42NO2+ MolecularWeight: 472.68138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCC

Isomeric SMILES

CCCCCCCC\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CCCCCCC

InChI

InChI=1S/C32H42NO2/c1-3-5-7-9-11-18-26-27-19-12-14-21-29(27)34-30(26)23-17-24-32-33(25-16-10-8-6-4-2)28-20-13-15-22-31(28)35-32/h12-15,17,19-24,26H,3-11,16,18,25H2,1-2H3/q+1/b24-17+,30-23+