tetrasodium 3-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]-7-nitro-naphthalene-1,5-disulfonate

Systemtic Name: tetrasodium 3-[(2E)-2-[4-methanoyl-6-methyl-5-oxidanylidene-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]-7-nitro-naphthalene-1,5-disulfonate Openeye Name: tetrasodium 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridylidene]hydrazino]-7-nitro-naphthalene-1,5-disulfonate CAS Name: tetrasodium 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)-2-pyridinylidene]hydrazinyl]-7-nitronaphthalene-1,5-disulfonate IUPAC Name: tetrasodium 3-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonatooxymethyl)pyridin-2-ylidene]hydrazinyl]-7-nitronaphthalene-1,5-disulfonate Traditional Name: tetrasodium 3-[(N'E)-N'-[4-formyl-5-keto-6-methyl-3-(phosphatomethyl)-2-pyridylidene]hydrazino]-7-nitro-naphthalene-1,5-disulfonate Formula: C18H11N4Na4O14PS2 MolecularWeight: 694.361181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NNC2=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])[N+](=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=CC(=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])/C(=C(C1=O)C=O)COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H15N4O14PS2.4Na/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35;;;;/h2-6,20H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4/b21-18+;;;;