tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate

C32H26N8Na4O18S6 — CID 59858578

About tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate

tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate (PubChem CID 59858578) has the molecular formula C32H26N8Na4O18S6 and a molecular weight of 1094.96 g/mol. Its IUPAC name is tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate.

Molecular Properties

• Compound Name: tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate
• PubChem CID: 59858578
• Molecular Formula: C32H26N8Na4O18S6
• Molecular Weight: 1094.96 g/mol
• Exact Mass: 1093.93
• IUPAC Name: tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate
• SMILES: Nc1c(/N=N/c2ccc(S(=O)(=O)CCOSOO[O-])cc2)cc(/N=N/c2ccc3c(SOO[O-])cccc3c2S(=O)(=O)[O-])c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C32H30N8O18S6.4Na/c33-29-26(38-35-19-4-8-21(9-5-19)61(43,44)16-14-53-60-58-56-42)18-27(39-37-25-13-12-23-24(32(25)63(47,48)49)2-1-3-28(23)59-57-55-41)30(34)31(29)40-36-20-6-10-22(11-7-20)62(45,46)17-15-54-64(50,51)52;;;;/h1-13,18,41-42H,14-17,33-34H2,(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b38-35+,39-37+,40-36+
• InChIKey: YRYDZRBEULZWJP-XTNDNLJXSA-J
• XLogP: -7.77
• TPSA: 410.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.96
LogP ≤ 5	-7.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate?

The IUPAC name of tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate (CID 59858578) is tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate.

What is the SMILES notation for tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate?

The canonical SMILES for tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate is Nc1c(/N=N/c2ccc(S(=O)(=O)CCOSOO[O-])cc2)cc(/N=N/c2ccc3c(SOO[O-])cccc3c2S(=O)(=O)[O-])c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate?

The InChIKey is YRYDZRBEULZWJP-XTNDNLJXSA-J. The full InChI is InChI=1S/C32H30N8O18S6.4Na/c33-29-26(38-35-19-4-8-21(9-5-19)61(43,44)16-14-53-60-58-56-42)18-27(39-37-25-13-12-23-24(32(25)63(47,48)49)2-1-3-28(23)59-57-55-41)30(34)31(29)40-36-20-6-10-22(11-7-20)62(45,46)17-15-54-64(50,51)52;;;;/h1-13,18,41-42H,14-17,33-34H2,(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b38-35+,39-37+,40-36+;;;;.

What are the key properties of tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate?

tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate has a molecular weight of 1094.96 g/mol, XLogP of -7.77, 22 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;2-[[2,4-diamino-5-[[4-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]-5-oxidoperoxysulfanylnaphthalene-1-sulfonate is sourced from PubChem (CID 59858578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).