2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-3-octyl-benzo[g][1,3]benzoxazol-3-ium

Systemtic Name: 2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-3-octyl-benzo[g][1,3]benzoxazol-3-ium Openeye Name: 2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-3-octyl-benzo[g][1,3]benzoxazol-3-ium CAS Name: 2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-3-octylbenzo[g][1,3]benzoxazol-3-ium IUPAC Name: 2-[(1E,3E)-4-ethoxy-3-methylbuta-1,3-dienyl]-3-octylbenzo[g][1,3]benzoxazol-3-ium Traditional Name: 2-[(1E,3E)-4-ethoxy-3-methyl-buta-1,3-dienyl]-3-octyl-benzo[g][1,3]benzoxazol-3-ium Formula: C26H34NO2+ MolecularWeight: 392.55366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)C=CC(=COCC)C

Isomeric SMILES

CCCCCCCC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)/C=C/C(=C/OCC)/C

InChI

InChI=1S/C26H34NO2/c1-4-6-7-8-9-12-19-27-24-17-16-22-13-10-11-14-23(22)26(24)29-25(27)18-15-21(3)20-28-5-2/h10-11,13-18,20H,4-9,12,19H2,1-3H3/q+1/b18-15+,21-20+