(6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium

Systemtic Name: (6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Openeye Name: (6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium CAS Name: (6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)-1-cyclohexa-2,4-dienone; methanidylbenzene; zirconium IUPAC Name: (6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Traditional Name: (6Z)-2,4-ditert-butyl-6-(6-phenyl-1H-pyridin-2-ylidene)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Formula: C39H42NOZr-3 MolecularWeight: 631.98088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=CC=C(N2)C3=CC=CC=[C-]3)C(=O)C(=C1)C(C)(C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC(C)(C)C1=C/C(=C/2\C=CC=C(N2)C3=CC=CC=[C-]3)/C(=O)C(=C1)C(C)(C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/C25H28NO.2C7H7.Zr/c1-24(2,3)18-15-19(23(27)20(16-18)25(4,5)6)22-14-10-13-21(26-22)17-11-8-7-9-12-17;2*1-7-5-3-2-4-6-7;/h7-11,13-16,26H,1-6H3;2*2-6H,1H2;/q3*-1;/b22-19-;;;