pentasodium (3Z)-5-azanyl-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: pentasodium (3Z)-5-azanyl-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: pentasodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-oxo-6-[3-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate CAS Name: pentasodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthalenyl)hydrazinylidene]-4-oxo-6-[3-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: pentasodium (3Z)-5-amino-3-[(1,5-disulfonatonaphthalen-2-yl)hydrazinylidene]-4-oxo-6-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: pentasodium (3Z)-5-amino-3-[(1,5-disulfonato-2-naphthyl)hydrazono]-4-keto-6-[3-(2-sulfatoethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate Formula: C28H18N5Na5O19S6 MolecularWeight: 1035.80347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N=NC2=C(C=C3C=C(C(=NNC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N=NC2=C(C=C3C=C(/C(=N\NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H23N5O19S6.5Na/c29-24-23-14(11-21(55(40,41)42)25(24)32-30-15-3-1-4-16(13-15)53(35,36)10-9-52-58(49,50)51)12-22(56(43,44)45)26(27(23)34)33-31-19-8-7-17-18(28(19)57(46,47)48)5-2-6-20(17)54(37,38)39;;;;;/h1-8,11-13,31H,9-10,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5/b32-30?,33-26+;;;;;