Product OPENEYE NAME: trimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)ammonium chloride
CAS Name: trimethyl-[1-(10-phenothiazinyl)propan-2-yl]ammonium chloride
IUPAC NAME: trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium chloride
SYSTEMATIC NAME: trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium chloride
MOLECULAR FORMULA: C18H23ClN2S
MOLECULAR WEIGHT: 334.90662
SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.[Cl-]
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Product OPENEYE NAME: 2-amino-5-guanidino-pentanoic acid; 2-aminopentanedioic acid
CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid
IUPAC NAME: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-aminopentanedioic acid
SYSTEMATIC NAME: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-azanylpentanedioic acid
MOLECULAR FORMULA: C11H23N5O6
MOLECULAR WEIGHT: 321.33022
SMILES: C(CC(C(=O)O)N)CN=C(N)N.C(CC(=O)O)C(C(=O)O)N
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Product OPENEYE NAME: 3-[(2-chlorophenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one
CAS Name: 3-[(2-chlorophenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-2-hydroxy-1-benzopyran-4-one
IUPAC NAME: 3-[(2-chlorophenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-2-hydroxychromen-4-one
SYSTEMATIC NAME: 3-[(2-chlorophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C25H15ClO6
MOLECULAR WEIGHT: 446.836
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=CC=C3Cl)C4=C(OC5=CC=CC=C5C4=O)O
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Product OPENEYE NAME: 3-[(4-chlorophenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one
CAS Name: 3-[(4-chlorophenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-2-hydroxy-1-benzopyran-4-one
IUPAC NAME: 3-[(4-chlorophenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-2-hydroxychromen-4-one
SYSTEMATIC NAME: 3-[(4-chlorophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C25H15ClO6
MOLECULAR WEIGHT: 446.836
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)O)C(C3=CC=C(C=C3)Cl)C4=C(OC5=CC=CC=C5C4=O)O
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Product OPENEYE NAME: 4-hydroxycyclohexa-2,5-dien-1-one
CAS Name: 4-hydroxy-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-oxidanylcyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: C1=CC(=O)C=CC1O
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Product OPENEYE NAME: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonio]hexyl]ammonium dichloride
CAS Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonio]hexyl]ammonium dichloride
IUPAC NAME: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium dichloride
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-[6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azaniumyl]hexyl]azanium dichloride
MOLECULAR FORMULA: C22H34Cl2N2O6
MOLECULAR WEIGHT: 493.42116
SMILES: C1=CC(=C(C=C1C(C[NH2+]CCCCCC[NH2+]CC(C2=CC(=C(C=C2)O)O)O)O)O)O.[Cl-].[Cl-]
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Product OPENEYE NAME: 1-(diaminomethylene)-2-(4-nitrophenyl)guanidine
CAS Name: 1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine
IUPAC NAME: 1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(4-nitrophenyl)guanidine
MOLECULAR FORMULA: C8H10N6O2
MOLECULAR WEIGHT: 222.204
SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-nitrophenyl)guanidine
CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(4-nitrophenyl)guanidine
IUPAC NAME: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-nitrophenyl)guanidine
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-nitrophenyl)guanidine
MOLECULAR FORMULA: C13H14N6O2
MOLECULAR WEIGHT: 286.28926
SMILES: CC1=CC(=NC(=N1)N=C(N)NC2=CC=C(C=C2)[N+](=O)[O-])C
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Product OPENEYE NAME: 1,5-dimethyl-5-sec-butyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: CCC(C)C1(C(=O)NC(=O)N(C1=O)C)C
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Product OPENEYE NAME: 1-phenylphenanthrene
CAS Name: 1-phenylphenanthrene
IUPAC NAME: 1-phenylphenanthrene
SYSTEMATIC NAME: 1-phenylphenanthrene
MOLECULAR FORMULA: C20H14
MOLECULAR WEIGHT: 254.32516
SMILES: C1=CC=C(C=C1)C2=CC=CC3=C2C=CC4=CC=CC=C43
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Product OPENEYE NAME: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
CAS Name: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
IUPAC NAME: 1-ethoxy-4-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-ethoxy-4-[2,2,2-tris(chloranyl)-1-(4-ethoxyphenyl)ethyl]benzene
MOLECULAR FORMULA: C18H19Cl3O2
MOLECULAR WEIGHT: 373.70126
SMILES: CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1-propoxy-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
CAS Name: 1-propoxy-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
IUPAC NAME: 1-propoxy-4-[2,2,2-trichloro-1-(4-propoxyphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-propoxy-4-[2,2,2-tris(chloranyl)-1-(4-propoxyphenyl)ethyl]benzene
MOLECULAR FORMULA: C20H23Cl3O2
MOLECULAR WEIGHT: 401.75442
SMILES: CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCCC)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CAS Name: 1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
IUPAC NAME: 1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
SYSTEMATIC NAME: 1-chloranyl-3-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
MOLECULAR FORMULA: C14H9Cl5
MOLECULAR WEIGHT: 354.48626
SMILES: C1=CC(=CC(=C1)Cl)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1H-benzimidazol-4-amine
CAS Name: 1H-benzimidazol-4-amine
IUPAC NAME: 1H-benzimidazol-4-amine
SYSTEMATIC NAME: 1H-benzimidazol-4-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CC2=C(C(=C1)N)N=CN2
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Product OPENEYE NAME: 4-methylcyclohexanecarboxylic acid
CAS Name: 4-methyl-1-cyclohexanecarboxylic acid
IUPAC NAME: 4-methylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-methylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC1CCC(CC1)C(=O)O
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Product OPENEYE NAME: 3-(5-nitro-2-furyl)-1-phenyl-prop-2-en-1-one
CAS Name: 3-(5-nitro-2-furanyl)-1-phenyl-2-propen-1-one
IUPAC NAME: 3-(5-nitrofuran-2-yl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: 3-(5-nitrofuran-2-yl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C13H9NO4
MOLECULAR WEIGHT: 243.21486
SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: 1,3-dimethylimidazol-1-ium iodide
CAS Name: 1,3-dimethylimidazol-1-ium iodide
IUPAC NAME: 1,3-dimethylimidazol-1-ium iodide
SYSTEMATIC NAME: 1,3-dimethylimidazol-1-ium iodide
MOLECULAR FORMULA: C5H9IN2
MOLECULAR WEIGHT: 224.04283
SMILES: CN1C=C[N+](=C1)C.[I-]
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Product OPENEYE NAME: 1,3-dimethylimidazol-1-ium
CAS Name: 1,3-dimethylimidazol-1-ium
IUPAC NAME: 1,3-dimethylimidazol-1-ium
SYSTEMATIC NAME: 1,3-dimethylimidazol-1-ium
MOLECULAR FORMULA: C5H9N2+
MOLECULAR WEIGHT: 97.13836
SMILES: CN1C=C[N+](=C1)C
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Product OPENEYE NAME: 2-methoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
CAS Name: 2-methoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
IUPAC NAME: 2-methoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
SYSTEMATIC NAME: 2-methoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
MOLECULAR FORMULA: C7H13O3P
MOLECULAR WEIGHT: 176.150081
SMILES: CC1=CC(P(=O)(O1)OC)(C)C
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Product OPENEYE NAME: 5-isopropyl-1,5-dimethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,5-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CC(C)C1(C(=O)NC(=O)N(C1=O)C)C
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Product OPENEYE NAME: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2R,5S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5S,10S,13R,14S,17R)-13-methyl-3-[(2R,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C29H42O10
MOLECULAR WEIGHT: 550.63778
SMILES: CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O
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Product OPENEYE NAME: 6-(2-ethylhexoxy)-6-oxo-hexanoic acid
CAS Name: 6-(2-ethylhexoxy)-6-oxohexanoic acid
IUPAC NAME: 6-(2-ethylhexoxy)-6-oxohexanoic acid
SYSTEMATIC NAME: 6-(2-ethylhexoxy)-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CCCCC(CC)COC(=O)CCCCC(=O)O
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Product OPENEYE NAME: 2-hydroxyethylammonium benzoate
CAS Name: 2-hydroxyethylammonium benzoate
IUPAC NAME: 2-hydroxyethylazanium benzoate
SYSTEMATIC NAME: 2-hydroxyethylazanium benzoate
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: C1=CC=C(C=C1)C(=O)[O-].C(CO)[NH3+]
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