titanium; 2,2,2-triphenylethanoic acid

Systemtic Name: titanium; 2,2,2-triphenylethanoic acid Openeye Name: titanium; 2,2,2-triphenylacetic acid CAS Name: titanium; 2,2,2-triphenylacetic acid IUPAC Name: titanium; 2,2,2-triphenylacetic acid Traditional Name: titanium; 2,2,2-triphenylacetic acid Formula: C80H64O8Ti MolecularWeight: 1201.22636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C20H16O2.Ti/c4*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;/h4*1-15H,(H,21,22);