4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoate; titanium(3+); trichloride

Systemtic Name: 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoate; titanium(3+); trichloride Openeye Name: 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoate; titanium(3+); trichloride CAS Name: 4-[[bis(trimethylsilyl)amino]-iminomethyl]benzoate; titanium(3+); trichloride IUPAC Name: 4-[N,N-bis(trimethylsilyl)carbamimidoyl]benzoate; titanium(3+); trichloride Traditional Name: 4-[N,N-bis(trimethylsilyl)amidino]benzoate; titanium(3+); trichloride Formula: C56H92Cl3N8O8Si8Ti-4 MolecularWeight: 1384.28848

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.C[Si](C)(C)N(C(=N)C1=CC=C(C=C1)C(=O)[O-])[Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/4C14H24N2O2Si2.3ClH.Ti/c4*1-19(2,3)16(20(4,5)6)13(15)11-7-9-12(10-8-11)14(17)18;;;;/h4*7-10,15H,1-6H3,(H,17,18);3*1H;/q;;;;;;;+3/p-7