tetrasodium 4-[[4-[(3,7-disulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium 4-[[4-[(3,7-disulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: tetrasodium 4-[[4-[(3,7-disulfonato-1-naphthyl)azo]-1-naphthyl]hydrazono]-3-oxo-naphthalene-2,7-disulfonate CAS Name: tetrasodium 4-[[4-[(3,7-disulfonato-1-naphthalenyl)azo]-1-naphthalenyl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium 4-[[4-[(3,7-disulfonatonaphthalen-1-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]-3-oxonaphthalene-2,7-disulfonate Traditional Name: tetrasodium 4-[[4-[(3,7-disulfonato-1-naphthyl)azo]-1-naphthyl]hydrazono]-3-keto-naphthalene-2,7-disulfonate Formula: C30H16N4Na4O13S4 MolecularWeight: 860.68612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C6=C(C=C(C=C6)S(=O)(=O)[O-])C=C(C5=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C5C6=C(C=C(C=C6)S(=O)(=O)[O-])C=C(C5=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H20N4O13S4.4Na/c35-30-28(51(45,46)47)13-17-12-18(48(36,37)38)7-8-21(17)29(30)34-32-26-10-9-25(22-3-1-2-4-23(22)26)31-33-27-15-20(50(42,43)44)11-16-5-6-19(14-24(16)27)49(39,40)41;;;;/h1-15,32H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4