chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide

C20H12CrN3O8S — CID 165360776

About chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide

chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide (PubChem CID 165360776) has the molecular formula C20H12CrN3O8S and a molecular weight of 506.39 g/mol. Its IUPAC name is chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide.

Molecular Properties

• Compound Name: chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide
• PubChem CID: 165360776
• Molecular Formula: C20H12CrN3O8S
• Molecular Weight: 506.39 g/mol
• Exact Mass: 505.98
• IUPAC Name: chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide
• SMILES: O=[N+]([O-])c1ccc2c(/N=N/c3c([O-])ccc4ccccc34)c([O-])cc(S(=O)(=O)[O-])c2c1.[Cr+3].[H+].[OH-]
• InChI: InChI=1S/C20H13N3O7S.Cr.H2O/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;/h1-10,24-25H,(H,28,29,30);;1H2/q;+3;/p-3/b22-21+
• InChIKey: OZERAQPZLAPVPE-ZPZFBZIMSA-K
• XLogP: 3.30
• TPSA: 201.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.39
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide?

The IUPAC name of chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide (CID 165360776) is chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide.

What is the SMILES notation for chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide?

The canonical SMILES for chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide is O=[N+]([O-])c1ccc2c(/N=N/c3c([O-])ccc4ccccc34)c([O-])cc(S(=O)(=O)[O-])c2c1.[Cr+3].[H+].[OH-].

What is the InChIKey of chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide?

The InChIKey is OZERAQPZLAPVPE-ZPZFBZIMSA-K. The full InChI is InChI=1S/C20H13N3O7S.Cr.H2O/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;/h1-10,24-25H,(H,28,29,30);;1H2/q;+3;/p-3/b22-21+;;.

What are the key properties of chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide?

chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide has a molecular weight of 506.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for chromium(3+);hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydroxide is sourced from PubChem (CID 165360776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).