silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide

C18H22Ag2I3N2O10 — CID 162098408

IUPACsilver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide
SMILESCCc1ccc(C(=O)O)cc1.I.II.O=C(O)c1ccc(CO[N+](=O)[O-])cc1.O=[N+]([O-])O.[Ag+].[Ag].[CH3-]
InChIInChI=1S/C9H10O2.C8H7NO5.CH3.2Ag.I2.HI.HNO3/c1-2-7-3-5-8(6-4-7)9(10)11;10-8(11)7-3-1-6(2-4-7)5-14-9(12)13;;;;1-2;;2-1(3)4/h3-6H,2H2,1H3,(H,10,11);1-4H,5H2,(H,10,11);1H3;;;;1H;(H,2,3,4)/q;;-1;;+1;;;
InChIKeyHHGHHNJRNVWSAK-UHFFFAOYSA-N
MW1022.83 g/mol
LogP5.53
Rot. Bonds6

About silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide

silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide (PubChem CID 162098408) has the molecular formula C18H22Ag2I3N2O10 and a molecular weight of 1022.83 g/mol. Its IUPAC name is silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide.

Molecular Properties

Compound Namesilver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide
PubChem CID162098408
Molecular FormulaC18H22Ag2I3N2O10
Molecular Weight1022.83 g/mol
Exact Mass1020.65
IUPAC Namesilver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide
SMILESCCc1ccc(C(=O)O)cc1.I.II.O=C(O)c1ccc(CO[N+](=O)[O-])cc1.O=[N+]([O-])O.[Ag+].[Ag].[CH3-]
InChIInChI=1S/C9H10O2.C8H7NO5.CH3.2Ag.I2.HI.HNO3/c1-2-7-3-5-8(6-4-7)9(10)11;10-8(11)7-3-1-6(2-4-7)5-14-9(12)13;;;;1-2;;2-1(3)4/h3-6H,2H2,1H3,(H,10,11);1-4H,5H2,(H,10,11);1H3;;;;1H;(H,2,3,4)/q;;-1;;+1;;;
InChIKeyHHGHHNJRNVWSAK-UHFFFAOYSA-N
XLogP5.53
TPSA190.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.83
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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propan-2-yl 4-(nitrooxymethyl)benzoate
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ethylbenzene;4-hydroxybenzoic acid
CID 67658801
(2,3,4,5,6-pentafluorophenyl) 4-(nitrooxymethyl)benzoate
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CID 59128263
4-[(4-nitrobenzoyl)oxymethyl]benzoic acid
CID 126210852
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561
4-[2-(4-ethylphenyl)hydrazinyl]benzoic acid
CID 175195414
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484

Frequently Asked Questions

What is the IUPAC name of silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide?
The IUPAC name of silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide (CID 162098408) is silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide.
What is the SMILES notation for silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide?
The canonical SMILES for silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide is CCc1ccc(C(=O)O)cc1.I.II.O=C(O)c1ccc(CO[N+](=O)[O-])cc1.O=[N+]([O-])O.[Ag+].[Ag].[CH3-].
What is the InChIKey of silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide?
The InChIKey is HHGHHNJRNVWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C8H7NO5.CH3.2Ag.I2.HI.HNO3/c1-2-7-3-5-8(6-4-7)9(10)11;10-8(11)7-3-1-6(2-4-7)5-14-9(12)13;;;;1-2;;2-1(3)4/h3-6H,2H2,1H3,(H,10,11);1-4H,5H2,(H,10,11);1H3;;;;1H;(H,2,3,4)/q;;-1;;+1;;;.
What are the key properties of silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide?
silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide has a molecular weight of 1022.83 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;carbanide;4-ethylbenzoic acid;molecular iodine;nitric acid;4-(nitrooxymethyl)benzoic acid;silver;hydroiodide is sourced from PubChem (CID 162098408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).