N5,N6-diphenylheptadec-7-yne-5,6-diimine; 5-ethyl-2,3-bis(oxidanyl)-6-pentyl-benzoate; palladium(2+)

Systemtic Name: N5,N6-diphenylheptadec-7-yne-5,6-diimine; 5-ethyl-2,3-bis(oxidanyl)-6-pentyl-benzoate; palladium(2+) Openeye Name: N5,N6-diphenylheptadec-7-yne-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-pentyl-benzoate; palladium(2+) CAS Name: N5,N6-diphenyl-7-heptadecyne-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-pentylbenzoate; palladium(2+) IUPAC Name: 5-N,6-N-diphenylheptadec-7-yne-5,6-diimine; 5-ethyl-2,3-dihydroxy-6-pentylbenzoate; palladium(2+) Traditional Name: 2-amyl-3-ethyl-5,6-dihydroxy-benzoate; 1-(C-butyl-N-phenyl-carbonimidoyl)dodec-2-ynylidene-phenyl-amine; palladium(2+) Formula: C57H76N2O8Pd MolecularWeight: 1023.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].[Pd+2]

Isomeric SMILES

CCCCCCCCCC#CC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CC)O)O)C(=O)[O-].[Pd+2]

InChI

InChI=1S/C29H38N2.2C14H20O4.Pd/c1-3-5-7-8-9-10-11-12-19-25-29(31-27-22-17-14-18-23-27)28(24-6-4-2)30-26-20-15-13-16-21-26;2*1-3-5-6-7-10-9(4-2)8-11(15)13(16)12(10)14(17)18;/h13-18,20-23H,3-12,24H2,1-2H3;2*8,15-16H,3-7H2,1-2H3,(H,17,18);/q;;;+2/p-2