pentaazanium 2-[[(7Z)-1-azanyl-8-oxidanylidene-7-[(3-phosphonatophenyl)hydrazinylidene]-3-sulfo-6-sulfonato-naphthalen-2-yl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: pentaazanium 2-[[(7Z)-1-azanyl-8-oxidanylidene-7-[(3-phosphonatophenyl)hydrazinylidene]-3-sulfo-6-sulfonato-naphthalen-2-yl]diazenyl]benzene-1,4-disulfonate Openeye Name: pentaammonium 2-[[(7Z)-1-amino-8-oxo-7-[(3-phosphonatophenyl)hydrazono]-3-sulfo-6-sulfonato-2-naphthyl]azo]benzene-1,4-disulfonate CAS Name: pentaammonium 2-[[(7Z)-1-amino-8-oxo-7-[(3-phosphonatophenyl)hydrazinylidene]-3-sulfo-6-sulfonato-2-naphthalenyl]azo]benzene-1,4-disulfonate IUPAC Name: pentaazanium 2-[[(7Z)-1-amino-8-oxo-7-[(3-phosphonatophenyl)hydrazinylidene]-3-sulfo-6-sulfonatonaphthalen-2-yl]diazenyl]benzene-1,4-disulfonate Traditional Name: pentaammonium 2-[[(7Z)-1-amino-8-keto-7-[(3-phosphonatophenyl)hydrazono]-3-sulfo-6-sulfonato-2-naphthyl]azo]benzene-1,4-disulfonate Formula: C22H33N10O16PS4 MolecularWeight: 852.788581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)P(=O)([O-])[O-])NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=CC(=C1)P(=O)([O-])[O-])N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)O)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C22H18N5O16PS4.5H3N/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;/h1-9,24H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);5*1H3/b26-25?,27-21+;;;;;