bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)

C156H108N76O36 — CID 158923140

About bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)

bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide) (PubChem CID 158923140) has the molecular formula C156H108N76O36 and a molecular weight of 3623.08 g/mol. Its IUPAC name is bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide).

Molecular Properties

• Compound Name: bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)
• PubChem CID: 158923140
• Molecular Formula: C156H108N76O36
• Molecular Weight: 3623.08 g/mol
• Exact Mass: 3620.90
• IUPAC Name: bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)
• SMILES: O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[C-]#[N+]c1c(-c2ccccc2)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(-c5ccccc5)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1cnn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cccc(C(=O)O)c4)c3N)n2)c1N
• InChI: InChI=1S/C45H31N19O5.2C35H27N19O5.C33H23N19O5.8CO2/c1-23-32(53-55-39-31(22-46)34(25-12-6-4-7-13-25)59-61(39)29-18-10-16-27(20-29)41(65)66)37(47)63(57-23)43-50-44(52-45(69)51-43)64-38(48)33(24(2)58-64)54-56-40-36(49-3)35(26-14-8-5-9-15-26)60-62(40)30-19-11-17-28(21-30)42(67)68;2*1-15-23(14-36)29(51(47-15)21-10-6-8-19(12-21)31(55)56)45-43-24-16(2)49-53(27(24)37)33-40-34(42-35(59)41-33)54-28(38)25(17(3)50-54)44-46-30-26(39-5)18(4)48-52(30)22-11-7-9-20(13-22)32(57)58;1-15-23(43-45-27-19(12-34)13-38-49(27)20-8-4-6-17(10-20)29(53)54)25(35)51(47-15)31-40-32(42-33(57)41-31)52-26(36)24(16(2)48-52)44-46-28-22(37-3)14-39-50(28)21-9-5-7-18(11-21)30(55)56;8*2-1-3/h4-21H,47-48H2,1-2H3,(H,65,66)(H,67,68)(H,50,51,52,69);2*6-13H,37-38H2,1-4H3,(H,55,56)(H,57,58)(H,40,41,42,59);4-11,13-14H,35-36H2,1-2H3,(H,53,54)(H,55,56)(H,40,41,42,57);;;;;;;;/b55-53+,56-54+;3*45-43+,46-44+
• InChIKey: JICBAIGLYHMOLN-CODXZMMISA-N
• XLogP: 18.90
• TPSA: 1610.76 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 100
• Rotatable Bonds: 42
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3623.08
LogP ≤ 5	18.90
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	100

Frequently Asked Questions

What is the IUPAC name of bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)?

The IUPAC name of bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide) (CID 158923140) is bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide).

What is the SMILES notation for bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)?

The canonical SMILES for bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide) is O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[C-]#[N+]c1c(-c2ccccc2)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(-c5ccccc5)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1c(C)nn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)c(C)nn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.[C-]#[N+]c1cnn(-c2cccc(C(=O)O)c2)c1/N=N/c1c(C)nn(-c2nc(O)nc(-n3nc(C)c(/N=N/c4c(C#N)cnn4-c4cccc(C(=O)O)c4)c3N)n2)c1N.

What is the InChIKey of bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)?

The InChIKey is JICBAIGLYHMOLN-CODXZMMISA-N. The full InChI is InChI=1S/C45H31N19O5.2C35H27N19O5.C33H23N19O5.8CO2/c1-23-32(53-55-39-31(22-46)34(25-12-6-4-7-13-25)59-61(39)29-18-10-16-27(20-29)41(65)66)37(47)63(57-23)43-50-44(52-45(69)51-43)64-38(48)33(24(2)58-64)54-56-40-36(49-3)35(26-14-8-5-9-15-26)60-62(40)30-19-11-17-28(21-30)42(67)68;2*1-15-23(14-36)29(51(47-15)21-10-6-8-19(12-21)31(55)56)45-43-24-16(2)49-53(27(24)37)33-40-34(42-35(59)41-33)54-28(38)25(17(3)50-54)44-46-30-26(39-5)18(4)48-52(30)22-11-7-9-20(13-22)32(57)58;1-15-23(43-45-27-19(12-34)13-38-49(27)20-8-4-6-17(10-20)29(53)54)25(35)51(47-15)31-40-32(42-33(57)41-31)52-26(36)24(16(2)48-52)44-46-28-22(37-3)14-39-50(28)21-9-5-7-18(11-21)30(55)56;8*2-1-3/h4-21H,47-48H2,1-2H3,(H,65,66)(H,67,68)(H,50,51,52,69);2*6-13H,37-38H2,1-4H3,(H,55,56)(H,57,58)(H,40,41,42,59);4-11,13-14H,35-36H2,1-2H3,(H,53,54)(H,55,56)(H,40,41,42,57);;;;;;;;/b55-53+,56-54+;3*45-43+,46-44+;;;;;;;;.

What are the key properties of bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide)?

bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide) has a molecular weight of 3623.08 g/mol, XLogP of 18.90, 42 rotatable bonds, 20 hydrogen bond donors, and 100 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-methylpyrazol-1-yl]benzoic acid);3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyano-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyano-3-phenylpyrazol-1-yl]benzoic acid;3-[5-[[5-amino-1-[4-[5-amino-4-[[1-(3-carboxyphenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid;octakis(carbon dioxide) is sourced from PubChem (CID 158923140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).