2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylethanoic acid

Systemtic Name: 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylethanoic acid Openeye Name: 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylacetic acid CAS Name: 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylacetic acid IUPAC Name: 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylacetic acid Traditional Name: 2,3,4,5,6,7,8,9-octahydro-1H-fluoren-1-ide; titanium; 2,2,2-triphenylacetic acid Formula: C73H65O6Ti- MolecularWeight: 1086.1606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)CC3=C2CCC[CH-]3.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

C1CCC2=C(C1)CC3=C2CCC[CH-]3.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.C13H17.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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h3*1-15H,(H,21,22);5H,1-4,6-9H2;/q;;;-1;