Product OPENEYE NAME: [[2-(2-fluorophenyl)-1-methyl-ethyl]amino]ammonium chloride
CAS Name: [1-(2-fluorophenyl)propan-2-ylamino]ammonium chloride
IUPAC NAME: [1-(2-fluorophenyl)propan-2-ylamino]azanium chloride
SYSTEMATIC NAME: [1-(2-fluorophenyl)propan-2-ylamino]azanium chloride
MOLECULAR FORMULA: C9H14ClFN2
MOLECULAR WEIGHT: 204.672263
SMILES: CC(CC1=CC=CC=C1F)N[NH3+].[Cl-]
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Product OPENEYE NAME: [2-(2-fluorophenyl)-1-methyl-ethyl]hydrazine
CAS Name: 1-(2-fluorophenyl)propan-2-ylhydrazine
IUPAC NAME: 1-(2-fluorophenyl)propan-2-ylhydrazine
SYSTEMATIC NAME: 1-(2-fluorophenyl)propan-2-yldiazane
MOLECULAR FORMULA: C9H13FN2
MOLECULAR WEIGHT: 168.211323
SMILES: CC(CC1=CC=CC=C1F)NN
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-morpholino-butan-1-one
CAS Name: 1-(4-fluorophenyl)-4-(4-morpholinyl)-1-butanone
IUPAC NAME: 1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-morpholin-4-yl-butan-1-one
MOLECULAR FORMULA: C14H18FNO2
MOLECULAR WEIGHT: 251.296623
SMILES: C1COCCN1CCCC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: [(6S,9R,17R)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(6S,9R,17R)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(6S,9R,17R)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,9R,17R)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H31FO5
MOLECULAR WEIGHT: 418.498343
SMILES: C[C@H]1CC2C3CC[C@@](C3(CC([C@@]2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C
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Product OPENEYE NAME: [3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium bromide
CAS Name: [3-[(2-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium bromide
IUPAC NAME: [3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [3-[(2-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C14H21BrClNO2
MOLECULAR WEIGHT: 350.67904
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=CC=C2Cl.[Br-]
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Product OPENEYE NAME: [3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium
CAS Name: [3-[(2-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium
IUPAC NAME: [3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [3-[(2-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H21ClNO2+
MOLECULAR WEIGHT: 270.77504
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=CC=C2Cl
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methyl-ammonium bromide
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-diethyl-methylammonium bromide
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium bromide
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-diethyl-methyl-azanium bromide
MOLECULAR FORMULA: C16H25BrClNO2
MOLECULAR WEIGHT: 378.7322
SMILES: CC[N+](C)(CC)CC1(COC1)COC2=CC=C(C=C2)Cl.[Br-]
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methyl-ammonium
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-diethyl-methylammonium
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C16H25ClNO2+
MOLECULAR WEIGHT: 298.8282
SMILES: CC[N+](C)(CC)CC1(COC1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 4-(4-bromophenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(4-bromophenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(4-bromophenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(4-bromophenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C14H14BrN3
MOLECULAR WEIGHT: 304.18506
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: 3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CAS Name: 3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
IUPAC NAME: 3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SYSTEMATIC NAME: 3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
MOLECULAR FORMULA: C41H82O6P2
MOLECULAR WEIGHT: 733.033702
SMILES: CCCCCCCCCCCCCCCCCCOP1OCC2(CO1)COP(OC2)OCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: N-(5-nitrothiazol-2-yl)thiophene-2-carboxamide
CAS Name: N-(5-nitro-2-thiazolyl)-2-thiophenecarboxamide
IUPAC NAME: N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
MOLECULAR FORMULA: C8H5N3O3S2
MOLECULAR WEIGHT: 255.2736
SMILES: C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azocane
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: C1CCCN(CCC1)CC2COC3=CC=CC=C3O2
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Product OPENEYE NAME: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine; sulfuric acid
CAS Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine; sulfuric acid
IUPAC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine; sulfuric
MOLECULAR FORMULA: C42H84N14O36S3
MOLECULAR WEIGHT: 1457.38356
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H](
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Product OPENEYE NAME: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
CAS Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine
IUPAC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
SYSTEMATIC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine
MOLECULAR FORMULA: C21H39N7O12
MOLECULAR WEIGHT: 581.57406
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O
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Product OPENEYE NAME: ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride
CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride
IUPAC NAME: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
SYSTEMATIC NAME: ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride
MOLECULAR FORMULA: C30H33ClN2O2
MOLECULAR WEIGHT: 489.04822
SMILES: CCOC(=O)C1(CC[NH+](CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: methylmercury; sulfuric acid
CAS Name: methylmercury; sulfuric acid
IUPAC NAME: methylmercury; sulfuric acid
SYSTEMATIC NAME: methylmercury; sulfuric acid
MOLECULAR FORMULA: C2H8Hg2O4S
MOLECULAR WEIGHT: 529.32752
SMILES: C[Hg].C[Hg].OS(=O)(=O)O
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Product OPENEYE NAME: (5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
CAS Name: (5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
IUPAC NAME: (5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
SYSTEMATIC NAME: (5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: C[C@]12CCC(=O)C[C@H]1CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C
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Product OPENEYE NAME: chloric acid
CAS Name: chloric acid
IUPAC NAME: chloric acid
SYSTEMATIC NAME: chloric acid
MOLECULAR FORMULA: ClHO3
MOLECULAR WEIGHT: 84.45914
SMILES: OCl(=O)=O
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Product OPENEYE NAME: diethyl-[2-[(2-hydroxy-2,2-diphenyl-acetyl)-methyl-amino]ethyl]-methyl-ammonium bromide
CAS Name: diethyl-[2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)-methylamino]ethyl]-methylammonium bromide
IUPAC NAME: diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium bromide
SYSTEMATIC NAME: diethyl-methyl-[2-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]ethyl]azanium bromide
MOLECULAR FORMULA: C22H31BrN2O2
MOLECULAR WEIGHT: 435.39774
SMILES: CC[N+](C)(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]
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Product OPENEYE NAME: 4-[4-(acetylsulfamoyl)anilino]-4-oxo-butanoic acid
CAS Name: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoic acid
IUPAC NAME: 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H14N2O6S
MOLECULAR WEIGHT: 314.31436
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O
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Product OPENEYE NAME: 2-methoxy-2-thioxo-4H-1,3,2$l^{5}-benzodioxaphosphinine
CAS Name: 2-methoxy-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphorin
IUPAC NAME: 2-methoxy-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinine
SYSTEMATIC NAME: 2-methoxy-2-sulfanylidene-4H-1,3,2$l^{5}-benzodioxaphosphinine
MOLECULAR FORMULA: C8H9O3PS
MOLECULAR WEIGHT: 216.194021
SMILES: COP1(=S)OCC2=CC=CC=C2O1
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Product OPENEYE NAME: sodium 1-oxidopyridine-2-thione
CAS Name: sodium 1-oxido-2-pyridinethione
IUPAC NAME: sodium 1-oxidopyridine-2-thione
SYSTEMATIC NAME: sodium 1-oxidanidylpyridine-2-thione
MOLECULAR FORMULA: C5H4NNaOS
MOLECULAR WEIGHT: 149.14613
SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
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Product OPENEYE NAME: 1-oxidopyridine-2-thione
CAS Name: 1-oxido-2-pyridinethione
IUPAC NAME: 1-oxidopyridine-2-thione
SYSTEMATIC NAME: 1-oxidanidylpyridine-2-thione
MOLECULAR FORMULA: C5H4NOS-
MOLECULAR WEIGHT: 126.15636
SMILES: C1=CC(=S)N(C=C1)[O-]
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