tetrasodium (3E)-5-oxidanyl-3-[(2-oxidanyl-3,6-disulfonato-naphthalen-1-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3E)-5-oxidanyl-3-[(2-oxidanyl-3,6-disulfonato-naphthalen-1-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3E)-5-hydroxy-3-[(2-hydroxy-3,6-disulfonato-1-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: tetrasodium (3E)-5-hydroxy-3-[(2-hydroxy-3,6-disulfonato-1-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3E)-5-hydroxy-3-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: tetrasodium (3E)-5-hydroxy-3-[(2-hydroxy-3,6-disulfonato-1-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C20H10N2Na4O15S4 MolecularWeight: 738.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)NN=C3C(=CC4=CC(=CC(=C4C3=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)N/N=C\3/C(=CC4=CC(=CC(=C4C3=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H14N2O15S4.4Na/c23-13-7-11(39(29,30)31)4-9-6-14(40(32,33)34)18(20(25)16(9)13)22-21-17-12-2-1-10(38(26,27)28)3-8(12)5-15(19(17)24)41(35,36)37;;;;/h1-7,21,23-24H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b22-18-;;;;