1-[(E)-(4-methylphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylidene]azaniumyl]-2,2-diphenyl-ethenolate

Systemtic Name: 1-[(E)-(4-methylphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylidene]azaniumyl]-2,2-diphenyl-ethenolate Openeye Name: 1-[(E)-(2-methyl-3-phenyl-azirin-2-yl)methylene-(p-tolyl)ammonio]-2,2-diphenyl-ethenolate CAS Name: 1-[(E)-(4-methylphenyl)-[(2-methyl-3-phenyl-2-azirinyl)methylidene]ammonio]-2,2-diphenylethenolate IUPAC Name: 1-[(E)-(4-methylphenyl)-[(2-methyl-3-phenylazirin-2-yl)methylidene]azaniumyl]-2,2-diphenylethenolate Traditional Name: 1-[(E)-(2-methyl-3-phenyl-azirin-2-yl)methylene-(p-tolyl)ammonio]-2,2-diphenyl-ethenolate Formula: C31H26N2O MolecularWeight: 442.55094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+](=CC2(C(=N2)C3=CC=CC=C3)C)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/[N+](=C\C2(C(=N2)C3=CC=CC=C3)C)/C(=C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H26N2O/c1-23-18-20-27(21-19-23)33(22-31(2)29(32-31)26-16-10-5-11-17-26)30(34)28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-22H,1-2H3/b33-22+