2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate

Systemtic Name: 2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate Openeye Name: 2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate CAS Name: 2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate IUPAC Name: 2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate Traditional Name: 2,3,4,9-tetrahydro-1H-fluoren-1-ide; titanium(2+); tribenzoate Formula: C60H54O6Ti3 MolecularWeight: 1014.66816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1C[CH-]C2=C(C1)C3=CC=CC=C3C2.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C13H13.3C7H6O2.3Ti/c3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*8-7(9)6-4-2-1-3-5-6;;;/h3*1,3,5-7H,2,4,8-9H2;3*1-5H,(H,8,9);;;/q3*-1;;;;3*+2/p-3