titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylethanoic acid

Systemtic Name: titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylethanoic acid Openeye Name: titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylacetic acid CAS Name: titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylacetic acid IUPAC Name: titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylacetic acid Traditional Name: titanium; 1,2,3-trimethylcyclopenta-1,3-diene; 2,2,2-triphenylacetic acid Formula: C68H59O6Ti- MolecularWeight: 1020.05946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)C)C.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

CC1=C(C(=[C-]C1)C)C.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/3C20H16O2.C8H11.Ti/c3*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;1-6-4-5-7(2)8(6)3;/h3*1-15H,(H,21,22);4H2,1-3H3;/q;;;-1;