disodium (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (4E)-4-[(4-carbethoxy-5-isocyano-1H-imidazol-2-yl)hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C17H11N5Na2O9S2 MolecularWeight: 539.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=N1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[N+]#[C-].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)C1=C(NC(=N1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])[N+]#[C-].[Na+].[Na+]

InChI

InChI=1S/C17H13N5O9S2.2Na/c1-3-31-16(24)13-15(18-2)20-17(19-13)22-21-12-10-5-4-9(32(25,26)27)6-8(10)7-11(14(12)23)33(28,29)30;;/h4-7H,3H2,1H3,(H2,19,20,22)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b21-12+;;