[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium; naphthalene-1,4-dione

Systemtic Name: [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium; naphthalene-1,4-dione Openeye Name: [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium; naphthalene-1,4-dione CAS Name: [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolylidene]palladium; naphthalene-1,4-dione IUPAC Name: [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium; naphthalene-1,4-dione Traditional Name: (1,3-dimesityl-4-imidazolin-2-ylidene)palladium; 1,4-naphthoquinone Formula: C62H60N4O4Pd2 MolecularWeight: 1138.0042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.C1=CC=C2C(=O)C=CC(=O)C2=C1.C1=CC=C2C(=O)C=CC(=O)C2=C1

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.C1=CC=C2C(=O)C=CC(=O)C2=C1.C1=CC=C2C(=O)C=CC(=O)C2=C1

InChI

InChI=1S/2C21H24N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;;/h2*7-12H,1-6H3;2*1-6H;;