tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate

C26H21N5Na4O18S6 — CID 135961694

About tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate

tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate (PubChem CID 135961694) has the molecular formula C26H21N5Na4O18S6 and a molecular weight of 975.83 g/mol. Its IUPAC name is tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate.

Molecular Properties

• Compound Name: tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate
• PubChem CID: 135961694
• Molecular Formula: C26H21N5Na4O18S6
• Molecular Weight: 975.83 g/mol
• Exact Mass: 974.88
• IUPAC Name: tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate
• SMILES: Nc1ccc2c(O)c(/N=N/c3cccc(S(=O)(=O)CCOSOO[O-])c3)c(SOO[O-])cc2c1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1S(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C26H25N5O18S6.4Na/c27-20-6-5-18-19(24(20)30-29-21-7-4-17(13-23(21)53(36)37)55(40,41)11-9-43-52-49-46-35)14-22(50-47-44-33)25(26(18)32)31-28-15-2-1-3-16(12-15)54(38,39)10-8-42-51-48-45-34;;;;/h1-7,12-14,32-35H,8-11,27H2,(H,36,37);;;;/q;4*+1/p-4/b30-29+,31-28+
• InChIKey: FBRHNZZXVIMQTB-CKPDKXIASA-J
• XLogP: -9.40
• TPSA: 347.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.83
LogP ≤ 5	-9.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate?

The IUPAC name of tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate (CID 135961694) is tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate.

What is the SMILES notation for tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate?

The canonical SMILES for tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate is Nc1ccc2c(O)c(/N=N/c3cccc(S(=O)(=O)CCOSOO[O-])c3)c(SOO[O-])cc2c1/N=N/c1ccc(S(=O)(=O)CCOSOO[O-])cc1S(=O)[O-].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate?

The InChIKey is FBRHNZZXVIMQTB-CKPDKXIASA-J. The full InChI is InChI=1S/C26H25N5O18S6.4Na/c27-20-6-5-18-19(24(20)30-29-21-7-4-17(13-23(21)53(36)37)55(40,41)11-9-43-52-49-46-35)14-22(50-47-44-33)25(26(18)32)31-28-15-2-1-3-16(12-15)54(38,39)10-8-42-51-48-45-34;;;;/h1-7,12-14,32-35H,8-11,27H2,(H,36,37);;;;/q;4*+1/p-4/b30-29+,31-28+;;;;.

What are the key properties of tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate?

tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate has a molecular weight of 975.83 g/mol, XLogP of -9.40, 22 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;2-[[2-amino-5-hydroxy-7-oxidoperoxysulfanyl-6-[[3-(2-oxidoperoxysulfanyloxyethylsulfonyl)phenyl]diazenyl]naphthalen-1-yl]diazenyl]-5-(2-oxidoperoxysulfanyloxyethylsulfonyl)benzenesulfinate is sourced from PubChem (CID 135961694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).