trisodium 4-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzoate

Systemtic Name: trisodium 4-[(2Z)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzoate Openeye Name: trisodium 4-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridylidene]hydrazino]benzoate CAS Name: trisodium 4-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridinylidene]hydrazinyl]benzoate IUPAC Name: trisodium 4-[(2Z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzoate Traditional Name: trisodium 4-[(N'Z)-N'-[4-formyl-5-keto-6-methyl-3-(phosphatomethyl)-2-pyridylidene]hydrazino]benzoate Formula: C15H11N3Na3O8P MolecularWeight: 461.206211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N3O8P.3Na/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22;;;/h2-6,17H,7H2,1H3,(H,21,22)(H2,23,24,25);;;/q;3*+1/p-3/b18-14-;;;