tetrasodium 2-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,4-disulfonate

Systemtic Name: tetrasodium 2-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,4-disulfonate Openeye Name: tetrasodium 2-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridylidene]hydrazino]benzene-1,4-disulfonate CAS Name: tetrasodium 2-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridinylidene]hydrazinyl]benzene-1,4-disulfonate IUPAC Name: tetrasodium 2-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]benzene-1,4-disulfonate Traditional Name: tetrasodium 2-[(N'E)-N'-[4-formyl-5-keto-6-methyl-3-(phosphatomethyl)-2-pyridylidene]hydrazino]benzene-1,4-disulfonate Formula: C14H10N3Na4O12PS2 MolecularWeight: 599.304941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N3O12PS2.4Na/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28;;;;/h2-5,16H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4/b17-14+;;;;