(E)-1-[2-[4-(6-fluoranylhexoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[2-[4-(6-fluoranylhexoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[2-[4-(6-fluorohexoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[2-[4-(6-fluorohexoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[2-[4-(6-fluorohexoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[2-[4-(6-fluorohexoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)N2C3=CC=CC=C3[NH+](N2C4=CC=C(C=C4)OCCCCCCF)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3[NH+](N2C4=CC=C(C=C4)OCCCCCCF)[O-]

InChI

InChI=1S/C27H28FN3O3/c28-20-8-1-2-9-21-34-24-17-15-23(16-18-24)30-29(25-12-6-7-13-26(25)31(30)33)27(32)19-14-22-10-4-3-5-11-22/h3-7,10-19,31H,1-2,8-9,20-21H2/b19-14+