Product OPENEYE NAME: 2-methylbenzo[c]phenanthrene
CAS Name: 2-methylbenzo[c]phenanthrene
IUPAC NAME: 2-methylbenzo[c]phenanthrene
SYSTEMATIC NAME: 2-methylbenzo[c]phenanthrene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3
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Product OPENEYE NAME: (6S,9R,16R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
CAS Name: (6S,9R,16R)-6,9-difluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,9R,16R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,9R,16R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H28F2O4
MOLECULAR WEIGHT: 394.452126
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=CC4([C@]3(C(CC2(C1C(=O)CO)C)O)F)C)F
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-ammonium chloride
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethylammonium chloride
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C19H22Cl2N2OS
MOLECULAR WEIGHT: 397.36178
SMILES: CC[NH+](CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.[Cl-]
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Product OPENEYE NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethyl-ethanamine
CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
IUPAC NAME: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C19H21ClN2OS
MOLECULAR WEIGHT: 360.90084
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl
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Product OPENEYE NAME: [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate
CAS Name: methanesulfonic acid [3-[4-(3-methylsulfonyloxy-1-oxopropyl)-1-piperazinyl]-3-oxopropyl] ester
IUPAC NAME: [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxopropyl] methanesulfonate
SYSTEMATIC NAME: [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl] methanesulfonate
MOLECULAR FORMULA: C12H22N2O8S2
MOLECULAR WEIGHT: 386.44168
SMILES: CS(=O)(=O)OCCC(=O)N1CCN(CC1)C(=O)CCOS(=O)(=O)C
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Product OPENEYE NAME: 5-(4-nitrophenyl)penta-2,4-dienal
CAS Name: 5-(4-nitrophenyl)penta-2,4-dienal
IUPAC NAME: 5-(4-nitrophenyl)penta-2,4-dienal
SYSTEMATIC NAME: 5-(4-nitrophenyl)penta-2,4-dienal
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: C1=CC(=CC=C1C=CC=CC=O)[N+](=O)[O-]
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Product OPENEYE NAME: cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
CAS Name: 1-cyclohex-3-enecarboxylic acid 1-cyclohex-3-enylmethyl ester
IUPAC NAME: cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: C1CC(CC=C1)COC(=O)C2CCC=CC2
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Product OPENEYE NAME: [1-(chloromethyl)-2-nitrooxy-ethyl] nitrate
CAS Name: nitric acid (1-chloro-3-nitrooxypropan-2-yl) ester
IUPAC NAME: (1-chloro-3-nitrooxypropan-2-yl) nitrate
SYSTEMATIC NAME: (1-chloranyl-3-nitrooxy-propan-2-yl) nitrate
MOLECULAR FORMULA: C3H5ClN2O6
MOLECULAR WEIGHT: 200.5346
SMILES: C(C(CCl)O[N+](=O)[O-])O[N+](=O)[O-]
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Product OPENEYE NAME: 2-(dichloromethyl)-1,3-dioxolane
CAS Name: 2-(dichloromethyl)-1,3-dioxolane
IUPAC NAME: 2-(dichloromethyl)-1,3-dioxolane
SYSTEMATIC NAME: 2-[bis(chloranyl)methyl]-1,3-dioxolane
MOLECULAR FORMULA: C4H6Cl2O2
MOLECULAR WEIGHT: 156.99524
SMILES: C1COC(O1)C(Cl)Cl
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Product OPENEYE NAME: 1,1,3-trimethylindane
CAS Name: 1,3,3-trimethyl-1,2-dihydroindene
IUPAC NAME: 1,3,3-trimethyl-1,2-dihydroindene
SYSTEMATIC NAME: 1,3,3-trimethyl-1,2-dihydroindene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CC1CC(C2=CC=CC=C12)(C)C
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Product OPENEYE NAME: 1-[4-(4-acetylphenoxy)phenyl]ethanone
CAS Name: 1-[4-(4-acetylphenoxy)phenyl]ethanone
IUPAC NAME: 1-[4-(4-acetylphenoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(4-ethanoylphenoxy)phenyl]ethanone
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C
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Product OPENEYE NAME: 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CAS Name: 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC NAME: 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
MOLECULAR FORMULA: C12H26O7
MOLECULAR WEIGHT: 282.33064
SMILES: C(COCCOCCOCCOCCOCCO)O
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Product OPENEYE NAME: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
CAS Name: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
IUPAC NAME: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C15H22N2O18P2
MOLECULAR WEIGHT: 580.285302
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O
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Product OPENEYE NAME: N-(4-bromophenyl)formamide
CAS Name: N-(4-bromophenyl)formamide
IUPAC NAME: N-(4-bromophenyl)formamide
SYSTEMATIC NAME: N-(4-bromophenyl)methanamide
MOLECULAR FORMULA: C7H6BrNO
MOLECULAR WEIGHT: 200.03264
SMILES: C1=CC(=CC=C1NC=O)Br
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Product OPENEYE NAME: N-(4-chlorophenyl)formamide
CAS Name: N-(4-chlorophenyl)formamide
IUPAC NAME: N-(4-chlorophenyl)formamide
SYSTEMATIC NAME: N-(4-chlorophenyl)methanamide
MOLECULAR FORMULA: C7H6ClNO
MOLECULAR WEIGHT: 155.58164
SMILES: C1=CC(=CC=C1NC=O)Cl
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Product OPENEYE NAME: 3-[[2-[2-(3-carboxy-2,4,6-triiodo-anilino)-2-oxo-ethoxy]acetyl]amino]-2,4,6-triiodo-benzoic acid
CAS Name: 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]-1-oxoethyl]amino]-2,4,6-triiodobenzoic acid
IUPAC NAME: 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
SYSTEMATIC NAME: 3-[2-[2-[[3-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-2-oxidanylidene-ethoxy]ethanoylamino]-2,4,6-tris(iodanyl)benzoic acid
MOLECULAR FORMULA: C18H10I6N2O7
MOLECULAR WEIGHT: 1127.70802
SMILES: C1=C(C(=C(C(=C1I)NC(=O)COCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
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Product OPENEYE NAME: disodium 3-[[6-(3-carboxylato-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoate
CAS Name: disodium 3-[[6-(3-carboxylato-2,4,6-triiodoanilino)-1,6-dioxohexyl]amino]-2,4,6-triiodobenzoate
IUPAC NAME: disodium 3-[[6-(3-carboxylato-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoate
SYSTEMATIC NAME: disodium 3-[[6-[[3-carboxylato-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoate
MOLECULAR FORMULA: C20H12I6N2Na2O6
MOLECULAR WEIGHT: 1183.72544
SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I.[Na+].[Na+]
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 2,2-diphenylacetate
CAS Name: 2,2-diphenylacetic acid 2-(dimethylamino)ethyl ester
IUPAC NAME: 2-(dimethylamino)ethyl 2,2-diphenylacetate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2,2-diphenylethanoate
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
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