5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium

Systemtic Name: 5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium Openeye Name: 5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium CAS Name: 5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium IUPAC Name: 5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium Traditional Name: 5,7-dimethyl-2,4,4-triphenyl-3H-1,2,4-benzotriazine-2,4-diium Formula: C27H25N3+2 MolecularWeight: 391.5075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=[N+](C[N+]2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=[N+](C[N+]2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N3/c1-21-18-22(2)27-26(19-21)28-29(23-12-6-3-7-13-23)20-30(27,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19H,20H2,1-2H3/q+2