72152-45-5

Name: hexasodium;32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
Chemical Name: hexasodium;32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel
CAS Number: 72152-45-5
Molecular Formula: C₆₀H₃₇Cl₃N₁₆Na₆NiO₂₁S₇+₄
Molecular Weight: 1845.5
Create Date: 2024-09-03 23:32:11
Modify Date: 2024-09-03 23:32:11

Name	hexasodium;32-[[3-[[3-methyl-5-oxo-1-[2-sulfo-4-[(Z)-2-[2-sulfo-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]ethenyl]phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-2,4(9),5,7,10,12(39),13(18),14,16,20,22(27),23,25,28,30(37),31(36),32,34-octadecaene-5,14,23-trisulfonic acid;nickel

Molecular Formula	C₆₀H₃₇Cl₃N₁₆Na₆NiO₂₁S₇+₄
Molecular Weight	1845.5
Smiles	CC1=NN(c2ccc(C=Cc3cccc(Nc4nc(Cl)nc(Cl)c4Cl)c3S(=O)(=O)O)cc2S(=O)(=O)O)C(=O)C1N=Nc1cc(NS(=O)(=O)c2cccc3c2C2=NC3N=c3[n-]c(c4cccc(S(=O)(=O)O)c34)=NC3=NC(N=c4[n-]c(c5cccc(S(=O)(=O)O)c45)=N2)c2cccc(S(=O)(=O)O)c23)ccc1S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Ni]