sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid

C29H29CrN6NaO9S — CID 170840430

About sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid

sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid (PubChem CID 170840430) has the molecular formula C29H29CrN6NaO9S and a molecular weight of 712.64 g/mol. Its IUPAC name is sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid.

Molecular Properties

• Compound Name: sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid
• PubChem CID: 170840430
• Molecular Formula: C29H29CrN6NaO9S
• Molecular Weight: 712.64 g/mol
• Exact Mass: 712.10
• IUPAC Name: sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid
• SMILES: O=S(=O)(O)c1ccc2cccnc2c1O.OCCNCCO.[Cr].[NH-]c1ccc2ccccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O.[Na+]
• InChI: InChI=1S/C16H11N4O3.C9H7NO4S.C4H11NO2.Cr.Na/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21;11-9-7(15(12,13)14)4-3-6-2-1-5-10-8(6)9;6-3-1-5-2-4-7;;/h1-9H,(H2-,17,18,19,21);1-5,11H,(H,12,13,14);5-7H,1-4H2;;/q-1;;;;+1
• InChIKey: KOBTZYKLKWDFRF-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 251.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	712.64
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid?

The IUPAC name of sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid (CID 170840430) is sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid.

What is the SMILES notation for sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid?

The canonical SMILES for sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid is O=S(=O)(O)c1ccc2cccnc2c1O.OCCNCCO.[Cr].[NH-]c1ccc2ccccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O.[Na+].

What is the InChIKey of sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid?

The InChIKey is KOBTZYKLKWDFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N4O3.C9H7NO4S.C4H11NO2.Cr.Na/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21;11-9-7(15(12,13)14)4-3-6-2-1-5-10-8(6)9;6-3-1-5-2-4-7;;/h1-9H,(H2-,17,18,19,21);1-5,11H,(H,12,13,14);5-7H,1-4H2;;/q-1;;;;+1.

What are the key properties of sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid?

sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid has a molecular weight of 712.64 g/mol, XLogP of 2.30, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;chromium;2-(2-hydroxyethylamino)ethanol;[1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]azanide;8-hydroxyquinoline-7-sulfonic acid is sourced from PubChem (CID 170840430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).