(2-tert-butylphenyl)imino-(2,2-dimethylpropylidene)molybdenum; 2,2,2-triphenylethanoic acid

Systemtic Name: (2-tert-butylphenyl)imino-(2,2-dimethylpropylidene)molybdenum; 2,2,2-triphenylethanoic acid Openeye Name: (2-tert-butylphenyl)imino-(2,2-dimethylpropylidene)molybdenum; 2,2,2-triphenylacetic acid CAS Name: (2-tert-butylphenyl)imino-(2,2-dimethylpropylidene)molybdenum; 2,2,2-triphenylacetic acid IUPAC Name: (2-tert-butylphenyl)imino-(2,2-dimethylpropylidene)molybdenum; 2,2,2-triphenylacetic acid Traditional Name: (2-tert-butylphenyl)imino-neopentylidene-molybdenum; 2,2,2-triphenylacetic acid Formula: C55H55MoNO4 MolecularWeight: 889.9695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=[Mo]=NC1=CC=CC=C1C(C)(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

Isomeric SMILES

CC(C)(C)C=[Mo]=NC1=CC=CC=C1C(C)(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

InChI

InChI=1S/2C20H16O2.C10H13N.C5H10.Mo/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;1-10(2,3)8-6-4-5-7-9(8)11;1-5(2,3)4;/h2*1-15H,(H,21,22);4-7H,1-3H3;1H,2-4H3;