Product OPENEYE NAME: N2,N2-diethyl-6-methoxy-N4-methyl-N4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CAS Name: N2,N2-diethyl-6-methoxy-N4-methyl-N4-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N,2-N-diethyl-6-methoxy-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N2-diethyl-6-methoxy-N4-methyl-N4-[2,2,2-tris(fluoranyl)ethyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H18F3N5O
MOLECULAR WEIGHT: 293.28873
SMILES: CCN(CC)C1=NC(=NC(=N1)N(C)CC(F)(F)F)OC
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Product OPENEYE NAME: triazine-4,6-diamine
CAS Name: triazine-4,6-diamine
IUPAC NAME: triazine-4,6-diamine
SYSTEMATIC NAME: 1,2,3-triazine-4,6-diamine
MOLECULAR FORMULA: C3H5N5
MOLECULAR WEIGHT: 111.1053
SMILES: C1=C(N=NN=C1N)N
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Product OPENEYE NAME: N-(trifluoromethyl)ethanamine
CAS Name: N-(trifluoromethyl)ethanamine
IUPAC NAME: N-(trifluoromethyl)ethanamine
SYSTEMATIC NAME: N-(trifluoromethyl)ethanamine
MOLECULAR FORMULA: C3H6F3N
MOLECULAR WEIGHT: 113.08165
SMILES: CCNC(F)(F)F
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Product OPENEYE NAME: (4-hydroxy-3-nitro-phenyl)methanesulfinate; tetrabutylammonium
CAS Name: (4-hydroxy-3-nitrophenyl)methanesulfinate; tetrabutylammonium
IUPAC NAME: (4-hydroxy-3-nitrophenyl)methanesulfinate; tetrabutylazanium
SYSTEMATIC NAME: (3-nitro-4-oxidanyl-phenyl)methanesulfinate; tetrabutylazanium
MOLECULAR FORMULA: C23H42N2O5S
MOLECULAR WEIGHT: 458.65498
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1CS(=O)[O-])[N+](=O)[O-])O
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Product OPENEYE NAME: (4-hydroxy-3-nitro-phenyl)methanesulfinic acid
CAS Name: (4-hydroxy-3-nitrophenyl)methanesulfinic acid
IUPAC NAME: (4-hydroxy-3-nitrophenyl)methanesulfinic acid
SYSTEMATIC NAME: (3-nitro-4-oxidanyl-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C7H7NO5S
MOLECULAR WEIGHT: 217.19918
SMILES: C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])O
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Product OPENEYE NAME: (3-bromo-4-hydroxy-5-nitro-phenyl)methanesulfinic acid
CAS Name: (3-bromo-4-hydroxy-5-nitrophenyl)methanesulfinic acid
IUPAC NAME: (3-bromo-4-hydroxy-5-nitrophenyl)methanesulfinic acid
SYSTEMATIC NAME: (3-bromanyl-5-nitro-4-oxidanyl-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C7H6BrNO5S
MOLECULAR WEIGHT: 296.09524
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)CS(=O)O
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Product OPENEYE NAME: (4-benzoyloxy-3-nitro-phenyl)methanesulfinic acid
CAS Name: (4-benzoyloxy-3-nitrophenyl)methanesulfinic acid
IUPAC NAME: (4-benzoyloxy-3-nitrophenyl)methanesulfinic acid
SYSTEMATIC NAME: [3-nitro-4-(phenylcarbonyloxy)phenyl]methanesulfinic acid
MOLECULAR FORMULA: C14H11NO6S
MOLECULAR WEIGHT: 321.30524
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: (3-nitro-4-prop-2-enoyloxy-phenyl)methanesulfinic acid
CAS Name: [3-nitro-4-(1-oxoprop-2-enoxy)phenyl]methanesulfinic acid
IUPAC NAME: (3-nitro-4-prop-2-enoyloxyphenyl)methanesulfinic acid
SYSTEMATIC NAME: (3-nitro-4-prop-2-enoyloxy-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C10H9NO6S
MOLECULAR WEIGHT: 271.24656
SMILES: C=CC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: [3-nitro-4-(2,3,3-trichloroprop-2-enoyloxy)phenyl]methanesulfinic acid
CAS Name: [3-nitro-4-(2,3,3-trichloro-1-oxoprop-2-enoxy)phenyl]methanesulfinic acid
IUPAC NAME: [3-nitro-4-(2,3,3-trichloroprop-2-enoyloxy)phenyl]methanesulfinic acid
SYSTEMATIC NAME: [3-nitro-4-[2,3,3-tris(chloranyl)prop-2-enoyloxy]phenyl]methanesulfinic acid
MOLECULAR FORMULA: C10H6Cl3NO6S
MOLECULAR WEIGHT: 374.58174
SMILES: C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])OC(=O)C(=C(Cl)Cl)Cl
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Product OPENEYE NAME: (4-acetoxy-3-nitro-phenyl)methanesulfinic acid
CAS Name: (4-acetyloxy-3-nitrophenyl)methanesulfinic acid
IUPAC NAME: (4-acetyloxy-3-nitrophenyl)methanesulfinic acid
SYSTEMATIC NAME: (4-acetyloxy-3-nitro-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C9H9NO6S
MOLECULAR WEIGHT: 259.23586
SMILES: CC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(4-chlorobutanoyloxy)-3-nitro-phenyl]methanesulfinic acid
CAS Name: [4-(4-chloro-1-oxobutoxy)-3-nitrophenyl]methanesulfinic acid
IUPAC NAME: [4-(4-chlorobutanoyloxy)-3-nitrophenyl]methanesulfinic acid
SYSTEMATIC NAME: [4-(4-chloranylbutanoyloxy)-3-nitro-phenyl]methanesulfinic acid
MOLECULAR FORMULA: C11H12ClNO6S
MOLECULAR WEIGHT: 321.73408
SMILES: C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])OC(=O)CCCCl
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Product OPENEYE NAME: (3-nitro-4-propanoyloxy-phenyl)methanesulfinic acid
CAS Name: [3-nitro-4-(1-oxopropoxy)phenyl]methanesulfinic acid
IUPAC NAME: (3-nitro-4-propanoyloxyphenyl)methanesulfinic acid
SYSTEMATIC NAME: (3-nitro-4-propanoyloxy-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C10H11NO6S
MOLECULAR WEIGHT: 273.26244
SMILES: CCC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(2-chloroacetyl)oxy-3-nitro-phenyl]methanesulfinic acid
CAS Name: [4-(2-chloro-1-oxoethoxy)-3-nitrophenyl]methanesulfinic acid
IUPAC NAME: [4-(2-chloroacetyl)oxy-3-nitrophenyl]methanesulfinic acid
SYSTEMATIC NAME: [4-(2-chloranylethanoyloxy)-3-nitro-phenyl]methanesulfinic acid
MOLECULAR FORMULA: C9H8ClNO6S
MOLECULAR WEIGHT: 293.68092
SMILES: C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])OC(=O)CCl
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Product OPENEYE NAME: [4-(cyclohexanecarbonyloxy)-3-nitro-phenyl]methanesulfinic acid
CAS Name: [4-[cyclohexyl(oxo)methoxy]-3-nitrophenyl]methanesulfinic acid
IUPAC NAME: [4-(cyclohexanecarbonyloxy)-3-nitrophenyl]methanesulfinic acid
SYSTEMATIC NAME: (4-cyclohexylcarbonyloxy-3-nitro-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C14H17NO6S
MOLECULAR WEIGHT: 327.35288
SMILES: C1CCC(CC1)C(=O)OC2=C(C=C(C=C2)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(cyclopropanecarbonyl)-3-nitro-phenyl]methanesulfinic acid
CAS Name: [4-[cyclopropyl(oxo)methyl]-3-nitrophenyl]methanesulfinic acid
IUPAC NAME: [4-(cyclopropanecarbonyl)-3-nitrophenyl]methanesulfinic acid
SYSTEMATIC NAME: (4-cyclopropylcarbonyl-3-nitro-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C11H11NO5S
MOLECULAR WEIGHT: 269.27374
SMILES: C1CC1C(=O)C2=C(C=C(C=C2)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(2-methoxyacetyl)oxy-3-nitro-phenyl]methanesulfinic acid
CAS Name: [4-(2-methoxy-1-oxoethoxy)-3-nitrophenyl]methanesulfinic acid
IUPAC NAME: [4-(2-methoxyacetyl)oxy-3-nitrophenyl]methanesulfinic acid
SYSTEMATIC NAME: [4-(2-methoxyethanoyloxy)-3-nitro-phenyl]methanesulfinic acid
MOLECULAR FORMULA: C10H11NO7S
MOLECULAR WEIGHT: 289.26184
SMILES: COCC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: (4-hydroxy-3-iodo-5-nitro-phenyl)methanesulfinic acid
CAS Name: (4-hydroxy-3-iodo-5-nitrophenyl)methanesulfinic acid
IUPAC NAME: (4-hydroxy-3-iodo-5-nitrophenyl)methanesulfinic acid
SYSTEMATIC NAME: (3-iodanyl-5-nitro-4-oxidanyl-phenyl)methanesulfinic acid
MOLECULAR FORMULA: C7H6INO5S
MOLECULAR WEIGHT: 343.09571
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)I)CS(=O)O
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