Computational Toxicology Research Program

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Chemical Name: Stannane, tetrachloro-
IUPAC Name: tetrachlorostannane
CAS RN: 7646-78-8
Description: single chemical compound
STRUCTURE Formula: Cl4Sn
Molecular Weight: 260.522
SMILES: Cl[Sn](Cl)(Cl)Cl
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Chemical Name: Hydrochloric acid
IUPAC Name: hydrogen chloride
CAS RN: 7647-01-0
Description: single chemical compound
STRUCTURE Formula: HCl
Molecular Weight: 36.4609
SMILES: Cl
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Chemical Name: Phosphoric acid
IUPAC Name: phosphoric acid
CAS RN: 7664-38-2
Description: single chemical compound
STRUCTURE Formula: H3O4P
Molecular Weight: 97.9952
SMILES: OP(O)(=O)O
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Chemical Name: Ammonia
IUPAC Name: Ammonia
CAS RN: 7664-41-7
Description: single chemical compound
STRUCTURE Formula: H3N
Molecular Weight: 17.0305
SMILES: N
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Chemical Name: Sulfuric acid
IUPAC Name: sulfuric acid
CAS RN: 7664-93-9
Description: single chemical compound
STRUCTURE Formula: H2O4S
Molecular Weight: 98.0785
SMILES: O=S(O)(O)=O
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Chemical Name: Disulfurous acid, disodium salt
IUPAC Name: disodium disulfite
CAS RN: 7681-57-4
Description: single chemical compound
STRUCTURE Formula: Na2O5S2
Molecular Weight: 190.1065
SMILES: [O-]S(OS([O-])=O)=O.[Na+].[Na+]
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Chemical Name: Nitric acid
IUPAC Name: nitric acid
CAS RN: 7697-37-2
Description: single chemical compound
STRUCTURE Formula: HNO3
Molecular Weight: 63.0128
SMILES: [O-][N+](O)=O
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Chemical Name: Iron chloride
IUPAC Name: iron(3+) trichloride
CAS RN: 7705-08-0
Description: single chemical compound
STRUCTURE Formula: Cl3Fe
Molecular Weight: 162.204
SMILES: .[Cl-].[Fe+3].[Cl-].[Cl-]
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Chemical Name: Phosphorous trichloride
IUPAC Name: phosphorous trichloride
CAS RN: 7719-12-2
Description: single chemical compound
STRUCTURE Formula: Cl3P
Molecular Weight: 137.3328
SMILES: ClP(Cl)Cl
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Chemical Name: Sulfuric acid, iron(2+) salt
IUPAC Name: iron(2+) sulfate
CAS RN: 7720-78-7
Description: single chemical compound
STRUCTURE Formula: FeO4S
Molecular Weight: 151.9076
SMILES: O=S([O-])([O-])=O.[Fe+2]
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Chemical Name: Phosphoric acid, monoammonium salt
IUPAC Name: ammonium dihydrogen phosphate
CAS RN: 7722-76-1
Description: single chemical compound
STRUCTURE Formula: H6NO4P
Molecular Weight: 115.0257
SMILES: O=P(O)(O)[O-].[NH4+]
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Chemical Name: Peroxydisulfuric acid, dipotassium salt
IUPAC Name: dipotassium [(sulfonatoperoxy)sulfonyl]oxidanide
CAS RN: 7727-21-1
Description: single chemical compound
STRUCTURE Formula: K2O8S2
Molecular Weight: 270.3218
SMILES: [O-]S(OOS([O-])(=O)=O)(=O)=O.[K+].[K+]
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Chemical Name: Peroxydisulfuric acid, diammonium salt
IUPAC Name: diammonium [(sulfonatoperoxy)sulfonyl]oxidanide
CAS RN: 7727-54-0
Description: single chemical compound
STRUCTURE Formula: H8N2O8S2
Molecular Weight: 228.2021
SMILES: [O-]S(OOS([O-])(=O)=O)(=O)=O.[NH4+].[NH4+]
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Chemical Name: Nitric acid potassium salt
IUPAC Name: potassium nitrate
CAS RN: 7757-79-1
Description: single chemical compound
STRUCTURE Formula: KNO3
Molecular Weight: 101.1032
SMILES: [O-][N+]([O-])=O.[K+]
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Chemical Name: Sulfuric acid disodium salt
IUPAC Name: disodium sulfate
CAS RN: 7757-82-6
Description: single chemical compound
STRUCTURE Formula: Na2O4S
Molecular Weight: 142.0421
SMILES: O=S(=O)([O-])[O-].[Na+].[Na+]
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Chemical Name: Chlorous acid, sodium salt
IUPAC Name: sodium chlorite
CAS RN: 7758-19-2
Description: single chemical compound
STRUCTURE Formula: ClNaO2
Molecular Weight: 90.4416
SMILES: [Na+].[O-]Cl=O
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Chemical Name: Iron chloride
IUPAC Name: iron(2+) dichloride
CAS RN: 7758-94-3
Description: single chemical compound
STRUCTURE Formula: Cl2Fe
Molecular Weight: 126.751
SMILES: [Fe+2].[Cl-].[Cl-]
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Chemical Name: Chloric acid, sodium salt
IUPAC Name: sodium chlorate
CAS RN: 7775-09-9
Description: single chemical compound
STRUCTURE Formula: ClNaO3
Molecular Weight: 106.441
SMILES: Cl(=O)(=O)[O-].[Na+]
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Chemical Name: Dithionous acid, disodium salt
IUPAC Name: disodium dithionite
CAS RN: 7775-14-6
Description: single chemical compound
STRUCTURE Formula: Na2O4S2
Molecular Weight: 174.1071
SMILES: O=S([O-])S([O-])=O.[Na+].[Na+]
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Chemical Name: Peroxydisulfuric acid, disodium salt
IUPAC Name: disodium [(sulfonatoperoxy)sulfonyl]oxidanide
CAS RN: 7775-27-1
Description: single chemical compound
STRUCTURE Formula: Na2O8S2
Molecular Weight: 238.1047
SMILES: [O-]S(OOS([O-])(=O)=O)(=O)=O.[Na+].[Na+]
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