trisodium (3Z)-5-azanyl-3-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-6-[(4-prop-2-enylsulfonylphenyl)diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-azanyl-3-[[5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinylidene]-4-oxidanylidene-6-[(4-prop-2-enylsulfonylphenyl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: trisodium (6Z)-3-(4-allylsulfonylphenyl)azo-4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxo-6-(4-prop-2-enylsulfonylphenyl)azonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]hydrazinylidene]-4-oxo-6-[(4-prop-2-enylsulfonylphenyl)diazenyl]naphthalene-2,7-disulfonate Traditional Name: trisodium (6Z)-3-(4-allylsulfonylphenyl)azo-4-amino-6-[[5-[(4,6-dichloro-s-triazin-2-yl)amino]-2-sulfonato-phenyl]hydrazono]-5-keto-naphthalene-2,7-disulfonate Formula: C28H18Cl2N9Na3O12S4 MolecularWeight: 940.63093

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=NNC4=C(C=CC(=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C=CCS(=O)(=O)C1=CC=C(C=C1)N=NC2=C(C=C3C=C(/C(=N\NC4=C(C=CC(=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])/C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H21Cl2N9O12S4.3Na/c1-2-9-52(41,42)16-6-3-14(4-7-16)36-38-23-19(54(46,47)48)10-13-11-20(55(49,50)51)24(25(40)21(13)22(23)31)39-37-17-12-15(5-8-18(17)53(43,44)45)32-28-34-26(29)33-27(30)35-28;;;/h2-8,10-12,37H,1,9,31H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);;;/q;3*+1/p-3/b38-36?,39-24+;;;