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titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate

titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate

Systemtic Name:titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate
Openeye Name:titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate
CAS Name:titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate
IUPAC Name:titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate
Traditional Name:titanium; 1,2,4-trimethylcyclopenta-1,3-diene; tribenzoate
Formula: C45H51O6Ti3-3
MolecularWeight: 831.48384
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.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].[Ti].[Ti]


Isomeric SMILES

CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.CC1=CC(=C(C1)C)C.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].[Ti].[Ti]


InChI

InChI=1S/3C8H12.3C7H6O2.3Ti/c3*1-6-4-7(2)8(3)5-6;3*8-7(9)6-4-2-1-3-5-6;;;/h3*4H,5H2,1-3H3;3*1-5H,(H,8,9);;;/p-3


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