1H-inden-1-ide; titanium(2+); 2,2,2-triphenylethanoic acid

Systemtic Name: 1H-inden-1-ide; titanium(2+); 2,2,2-triphenylethanoic acid Openeye Name: 1H-inden-1-ide; titanium(2+); 2,2,2-triphenylacetic acid CAS Name: 1H-inden-1-ide; titanium(2+); 2,2,2-triphenylacetic acid IUPAC Name: 1H-inden-1-ide; titanium(2+); 2,2,2-triphenylacetic acid Traditional Name: 1H-inden-1-ide; titanium(2+); 2,2,2-triphenylacetic acid Formula: C58H46O4Ti MolecularWeight: 854.85044

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC2=CC=CC=C21.[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.[Ti+2]

Isomeric SMILES

[CH-]1C=CC2=CC=CC=C21.[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.[Ti+2]

InChI

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