2,3-bis(oxidanyl)-6-pentyl-benzoate; N5,N6-diphenylpentacosane-5,6-diimine; palladium(2+)

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-benzoate; N5,N6-diphenylpentacosane-5,6-diimine; palladium(2+) Openeye Name: 2,3-dihydroxy-6-pentyl-benzoate; N5,N6-diphenylpentacosane-5,6-diimine; palladium(2+) CAS Name: 2,3-dihydroxy-6-pentylbenzoate; N5,N6-diphenylpentacosane-5,6-diimine; palladium(2+) IUPAC Name: 2,3-dihydroxy-6-pentylbenzoate; 5-N,6-N-diphenylpentacosane-5,6-diimine; palladium(2+) Traditional Name: 6-amyl-2,3-dihydroxy-benzoate; 1-(C-butyl-N-phenyl-carbonimidoyl)eicosylidene-phenyl-amine; palladium(2+) Formula: C61H88N2O8Pd MolecularWeight: 1083.78002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H58N2.2C12H16O4.Pd/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33-37(39-35-30-25-22-26-31-35)36(32-6-4-2)38-34-28-23-21-24-29-34;2*1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16;/h21-26,28-31H,3-20,27,32-33H2,1-2H3;2*6-7,13-14H,2-5H2,1H3,(H,15,16);/q;;;+2/p-2