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

Systemtic Name: 5-butyl-2,3-bis(oxidanyl)-6-pentyl-benzoate; N5,N6-diphenylhexatriacontane-5,6-diimine; palladium(2+) Openeye Name: 5-butyl-2,3-dihydroxy-6-pentyl-benzoate; N5,N6-diphenylhexatriacontane-5,6-diimine; palladium(2+) CAS Name: 5-butyl-2,3-dihydroxy-6-pentylbenzoate; N5,N6-diphenylhexatriacontane-5,6-diimine; palladium(2+) IUPAC Name: 5-butyl-2,3-dihydroxy-6-pentylbenzoate; 5-N,6-N-diphenylhexatriacontane-5,6-diimine; palladium(2+) Traditional Name: 2-amyl-3-butyl-5,6-dihydroxy-benzoate; 1-(C-butyl-N-phenyl-carbonimidoyl)hentriacontylidene-phenyl-amine; palladium(2+) Formula: C80H126N2O8Pd MolecularWeight: 1350.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCCC1=C(C(=C(C=C1CCCC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CCCC)O)O)C(=O)[O-].[Pd+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=NC1=CC=CC=C1)C(=NC2=CC=CC=C2)CCCC.CCCCCC1=C(C(=C(C=C1CCCC)O)O)C(=O)[O-].CCCCCC1=C(C(=C(C=C1CCCC)O)O)C(=O)[O-].[Pd+2]

InChI

InChI=1S/C48H80N2.2C16H24O4.Pd/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-38-44-48(50-46-41-36-33-37-42-46)47(43-6-4-2)49-45-39-34-32-35-40-45;2*1-3-5-7-9-12-11(8-6-4-2)10-13(17)15(18)14(12)16(19)20;/h32-37,39-42H,3-31,38,43-44H2,1-2H3;2*10,17-18H,3-9H2,1-2H3,(H,19,20);/q;;;+2/p-2