(6Z)-6-[[(3,5-ditert-butyl-2-oxidanyl-phenyl)amino]methylidene]-3-nitro-cyclohexa-2,4-dien-1-one; palladium

Systemtic Name: (6Z)-6-[[(3,5-ditert-butyl-2-oxidanyl-phenyl)amino]methylidene]-3-nitro-cyclohexa-2,4-dien-1-one; palladium Openeye Name: (6Z)-6-[(3,5-ditert-butyl-2-hydroxy-anilino)methylene]-3-nitro-cyclohexa-2,4-dien-1-one; palladium CAS Name: (6Z)-6-[(3,5-ditert-butyl-2-hydroxyanilino)methylidene]-3-nitro-1-cyclohexa-2,4-dienone; palladium IUPAC Name: (6Z)-6-[(3,5-ditert-butyl-2-hydroxyanilino)methylidene]-3-nitrocyclohexa-2,4-dien-1-one; palladium Traditional Name: (6Z)-6-[(3,5-ditert-butyl-2-hydroxy-anilino)methylene]-3-nitro-cyclohexa-2,4-dien-1-one; palladium Formula: C42H52N4O8Pd2 MolecularWeight: 953.72428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NC=C2C=CC(=CC2=O)[N+](=O)[O-])O)C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)NC=C2C=CC(=CC2=O)[N+](=O)[O-])O)C(C)(C)C.[Pd].[Pd]

Isomeric SMILES

CC(C1=CC(=C(C(=C1)N/C=C/2\C(=O)C=C(C=C2)[N+](=O)[O-])O)C(C)(C)C)(C)C.CC(C1=CC(=C(C(=C1)N/C=C/2\C(=O)C=C(C=C2)[N+](=O)[O-])O)C(C)(C)C)(C)C.[Pd].[Pd]

InChI

InChI=1S/2C21H26N2O4.2Pd/c2*1-20(2,3)14-9-16(21(4,5)6)19(25)17(10-14)22-12-13-7-8-15(23(26)27)11-18(13)24;;/h2*7-12,22,25H,1-6H3;;/b2*13-12-;;