cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium; 2,2,2-triphenylethanoic acid

Systemtic Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium; 2,2,2-triphenylethanoic acid Openeye Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium; 2,2,2-triphenylacetic acid CAS Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium; 2,2,2-triphenylacetic acid IUPAC Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylidenetitanium; 2,2,2-triphenylacetic acid Traditional Name: cyclopenta-1,3-diene; 1H-inden-1-ide; methylenetitanium; 2,2,2-triphenylacetic acid Formula: C55H46O4Ti-2 MolecularWeight: 818.81834

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Descriptors Computed from Structure

Canonical SMILES:

C=[Ti].C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.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

Isomeric SMILES

C=[Ti].C1C=CC=[C-]1.[CH-]1C=CC2=CC=CC=C21.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

InChI

InChI=1S/2C20H16O2.C9H7.C5H5.CH2.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;1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;/h2*1-15H,(H,21,22);1-7H;1-3H,4H2;1H2;/q;;2*-1;;