methanolate; titanium(2+); 2,2,2-triphenylethanoic acid

Systemtic Name: methanolate; titanium(2+); 2,2,2-triphenylethanoic acid Openeye Name: methanolate; titanium(2+); 2,2,2-triphenylacetic acid CAS Name: methanolate; titanium(2+); 2,2,2-triphenylacetic acid IUPAC Name: methanolate; titanium(2+); 2,2,2-triphenylacetic acid Traditional Name: methanolate; titanium(2+); 2,2,2-triphenylacetic acid Formula: C42H38O6Ti MolecularWeight: 686.61452

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C[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+2]

Isomeric SMILES

C[O-].C[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+2]

InChI

InChI=1S/2C20H16O2.2CH3O.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;/h2*1-15H,(H,21,22);2*1H3;/q;;2*-1;+2