pentapotassium 5-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-dicarboxylate

Systemtic Name: pentapotassium 5-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-dicarboxylate Openeye Name: pentapotassium 5-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridylidene]hydrazino]benzene-1,3-dicarboxylate CAS Name: pentapotassium 5-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridinylidene]hydrazinyl]benzene-1,3-dicarboxylate IUPAC Name: pentapotassium 5-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,3-dicarboxylate Traditional Name: pentapotassium 5-[(N'Z)-N'-[4-formyl-5-keto-6-methyl-3-(phosphatomethyl)-2-pyridylidene]hydrazino]isophthalate Formula: C80H50K5N15O50P5-15 MolecularWeight: 2371.683805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NNC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=NC(=NNC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=NC(=NNC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=NC(=NNC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=NC(=NNC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])C(=C(C1=O)C=O)COP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]

Isomeric SMILES

CC1=N/C(=N\NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=N/C(=N\NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=N/C(=N\NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=N/C(=N\NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].CC1=N/C(=N\NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/5C16H14N3O10P.5K/c5*1-7-13(21)11(5-20)12(6-29-30(26,27)28)14(17-7)19-18-10-3-8(15(22)23)2-9(4-10)16(24)25;;;;;/h5*2-5,18H,6H2,1H3,(H,22,23)(H,24,25)(H2,26,27,28);;;;;/q;;;;;5*+1/p-20/b5*19-14-;;;;;