1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylethanoic acid

Systemtic Name: 1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylethanoic acid Openeye Name: 1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylacetic acid CAS Name: 1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylacetic acid IUPAC Name: 1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylacetic acid Traditional Name: 1,3-dimethyl-4,5,6,7-tetrahydroinden-1-ide; titanium; 2,2,2-triphenylacetic acid Formula: C71H63O6Ti- MolecularWeight: 1060.12332

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=C(C2=C1CCCC2)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.[Ti]

Isomeric SMILES

C[C-]1C=C(C2=C1CCCC2)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.[Ti]

InChI

InChI=1S/3C20H16O2.C11H15.Ti/c3*21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-9(2)11-6-4-3-5-10(8)11;/h3*1-15H,(H,21,22);7H,3-6H2,1-2H3;/q;;;-1;