(2-oxidaniumyl-4,4-diphenyl-1H-imidazol-5-ylidene)oxidanium; titanium

Systemtic Name: (2-oxidaniumyl-4,4-diphenyl-1H-imidazol-5-ylidene)oxidanium; titanium Openeye Name: (2-oxonio-4,4-diphenyl-1H-imidazol-5-ylidene)oxonium; titanium CAS Name: (2-oxonio-4,4-diphenyl-1H-imidazol-5-ylidene)oxonium; titanium IUPAC Name: (2-oxonio-4,4-diphenyl-1H-imidazol-5-ylidene)oxidanium; titanium Traditional Name: (2-oxonio-5,5-diphenyl-2-imidazolin-4-ylidene)oxonium; titanium Formula: C30H28N4O4Ti+4 MolecularWeight: 556.43472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(=[OH+])NC(=N2)[OH2+])C3=CC=CC=C3.C1=CC=C(C=C1)C2(C(=[OH+])NC(=N2)[OH2+])C3=CC=CC=C3.[Ti]

Isomeric SMILES

C1=CC=C(C=C1)C2(C(=[OH+])NC(=N2)[OH2+])C3=CC=CC=C3.C1=CC=C(C=C1)C2(C(=[OH+])NC(=N2)[OH2+])C3=CC=CC=C3.[Ti]

InChI

InChI=1S/2C15H12N2O2.Ti/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H,(H2,16,17,18,19);/p+4