sodium (3Z)-5-azanyl-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: sodium (3Z)-5-azanyl-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: sodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: sodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: sodium (3Z)-5-amino-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: sodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C20H11N3NaO13S4-3 MolecularWeight: 652.56341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H15N3O13S4.Na/c21-13-8-10(37(25,26)27)6-9-7-16(39(31,32)33)18(19(24)17(9)13)23-22-14-5-4-11-12(20(14)40(34,35)36)2-1-3-15(11)38(28,29)30;/h1-8,22H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);/q;+1/p-4/b23-18+;