3-azanylchromen-2-one; 2,2-diethylpropanedioate; palladium(2+)

Systemtic Name: 3-azanylchromen-2-one; 2,2-diethylpropanedioate; palladium(2+) Openeye Name: 3-aminochromen-2-one; 2,2-diethylpropanedioate; palladium(2+) CAS Name: 3-amino-1-benzopyran-2-one; 2,2-diethylpropanedioate; palladium(2+) IUPAC Name: 3-aminochromen-2-one; 2,2-diethylpropanedioate; palladium(2+) Traditional Name: 3-aminocoumarin; 2,2-diethylmalonate; palladium(2+) Formula: C25H24N2O8Pd MolecularWeight: 586.88666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=O)O2)N.C1=CC=C2C(=C1)C=C(C(=O)O2)N.[Pd+2]

Isomeric SMILES

CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C2C(=C1)C=C(C(=O)O2)N.C1=CC=C2C(=C1)C=C(C(=O)O2)N.[Pd+2]

InChI

InChI=1S/2C9H7NO2.C7H12O4.Pd/c2*10-7-5-6-3-1-2-4-8(6)12-9(7)11;1-3-7(4-2,5(8)9)6(10)11;/h2*1-5H,10H2;3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;;+2/p-2