cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylethanoic acid

Systemtic Name: cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylethanoic acid Openeye Name: cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylacetic acid CAS Name: cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylacetic acid IUPAC Name: cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylacetic acid Traditional Name: cyclopenta-1,3-diene; titanium(2+); 2,2,2-triphenylacetic acid Formula: C50H42O4Ti MolecularWeight: 754.73308

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.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+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.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+2]

InChI

InChI=1S/2C20H16O2.2C5H5.Ti/c2*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;2*1-2-4-5-3-1;/h2*1-15H,(H,21,22);2*1-3H,4H2;/q;;2*-1;+2