tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)

C56H58N10Na4O20S6 — CID 165075540

About tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)

tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide) (PubChem CID 165075540) has the molecular formula C56H58N10Na4O20S6 and a molecular weight of 1475.49 g/mol. Its IUPAC name is tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide).

Molecular Properties

• Compound Name: tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)
• PubChem CID: 165075540
• Molecular Formula: C56H58N10Na4O20S6
• Molecular Weight: 1475.49 g/mol
• Exact Mass: 1474.17
• IUPAC Name: tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)
• SMILES: C/N=N/c1cc(OC)c(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)cc1C.C/N=N/c1cc(OC)c(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)cc1C.CCS(=O)(=O)c1ccc(C)cc1.CCS(=O)(=O)c1ccc(C)cc1.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/2C19H18N5O5S.2C9H12O2S.4Na.2O3S/c2*1-10-7-14(15(29-3)9-13(10)22-21-2)23-24-18-16(30(26,27)28)8-11-5-4-6-12(20)17(11)19(18)25;2*1-3-12(10,11)9-6-4-8(2)5-7-9;;;;;2*1-4(2)3/h2*5-9,25H,20H2,1-3H3,(H,26,27,28);2*4-7H,3H2,1-2H3;;;;;;/q2*-1;;;4*+1;;/p-2/b2*22-21+,24-23+
• InChIKey: KVDCATDKRQTCRK-FBWFLAPOSA-L
• XLogP: -1.86
• TPSA: 494.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1475.49
LogP ≤ 5	-1.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)?

The IUPAC name of tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide) (CID 165075540) is tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide).

What is the SMILES notation for tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)?

The canonical SMILES for tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide) is C/N=N/c1cc(OC)c(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)cc1C.C/N=N/c1cc(OC)c(/N=N/c2c(S(=O)(=O)[O-])cc3c[c-]cc(N)c3c2O)cc1C.CCS(=O)(=O)c1ccc(C)cc1.CCS(=O)(=O)c1ccc(C)cc1.O=S(=O)=O.O=S(=O)=O.[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)?

The InChIKey is KVDCATDKRQTCRK-FBWFLAPOSA-L. The full InChI is InChI=1S/2C19H18N5O5S.2C9H12O2S.4Na.2O3S/c2*1-10-7-14(15(29-3)9-13(10)22-21-2)23-24-18-16(30(26,27)28)8-11-5-4-6-12(20)17(11)19(18)25;2*1-3-12(10,11)9-6-4-8(2)5-7-9;;;;;2*1-4(2)3/h2*5-9,25H,20H2,1-3H3,(H,26,27,28);2*4-7H,3H2,1-2H3;;;;;;/q2*-1;;;4*+1;;/p-2/b2*22-21+,24-23+;;;;;;;;.

What are the key properties of tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide)?

tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide) has a molecular weight of 1475.49 g/mol, XLogP of -1.86, 14 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;bis(5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-(methyldiazenyl)phenyl]diazenyl]-7H-naphthalen-7-ide-2-sulfonate);bis(1-ethylsulfonyl-4-methylbenzene);bis(sulfur trioxide) is sourced from PubChem (CID 165075540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).