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

Systemtic Name: 2,3-bis(oxidanyl)-6-pentyl-benzoate; N5,N6-diphenyldecane-5,6-diimine; palladium(2+) Openeye Name: 2,3-dihydroxy-6-pentyl-benzoate; N5,N6-diphenyldecane-5,6-diimine; palladium(2+) CAS Name: 2,3-dihydroxy-6-pentylbenzoate; N5,N6-diphenyldecane-5,6-diimine; palladium(2+) IUPAC Name: 2,3-dihydroxy-6-pentylbenzoate; 5-N,6-N-diphenyldecane-5,6-diimine; palladium(2+) Traditional Name: 6-amyl-2,3-dihydroxy-benzoate; (1-butyl-2-phenylimino-hexylidene)-phenyl-amine; palladium(2+) Formula: C46H58N2O8Pd MolecularWeight: 873.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2.2C12H16O4.Pd/c1-3-5-17-21(23-19-13-9-7-10-14-19)22(18-6-4-2)24-20-15-11-8-12-16-20;2*1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16;/h7-16H,3-6,17-18H2,1-2H3;2*6-7,13-14H,2-5H2,1H3,(H,15,16);/q;;;+2/p-2