Product OPENEYE NAME: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl prop-2-enoate
CAS Name: 2-propenoic acid 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl ester
IUPAC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl prop-2-enoate
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptyl prop-2-enoate
MOLECULAR FORMULA: C10H5F13O2
MOLECULAR WEIGHT: 404.124742
SMILES: C=CC(=O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1,2,3,3,4,4,5,5-octafluorocyclopentene
CAS Name: 1,2,3,3,4,4,5,5-octafluorocyclopentene
IUPAC NAME: 1,2,3,3,4,4,5,5-octafluorocyclopentene
SYSTEMATIC NAME: 1,2,3,3,4,4,5,5-octakis(fluoranyl)cyclopentene
MOLECULAR FORMULA: C5F8
MOLECULAR WEIGHT: 212.040726
SMILES: C1(=C(C(C(C1(F)F)(F)F)(F)F)F)F
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MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC1C[C@@]23[C@]14[C@@H]5C[C@H]([C@H]2CCCN3C[C@@H]6[C@H]4O6)OC5=O
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Product OPENEYE NAME: 3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,12S,13S,14S,17R)-3-[(2S,5R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-12,14-bis(oxidanyl)-11-oxidanylidene-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H44O9
MOLECULAR WEIGHT: 548.66496
SMILES: CC1[C@H](C(C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3C(=O)[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O
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Product OPENEYE NAME: 2,3,3-trimethylpentane
CAS Name: 2,3,3-trimethylpentane
IUPAC NAME: 2,3,3-trimethylpentane
SYSTEMATIC NAME: 2,3,3-trimethylpentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCC(C)(C)C(C)C
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Product OPENEYE NAME: 2,3,3-trimethylpent-1-ene
CAS Name: 2,3,3-trimethyl-1-pentene
IUPAC NAME: 2,3,3-trimethylpent-1-ene
SYSTEMATIC NAME: 2,3,3-trimethylpent-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC(C)(C)C(=C)C
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MOLECULAR FORMULA: C39H61NO12
MOLECULAR WEIGHT: 735.90114
SMILES: CCC(C)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O[C@@]24CC5C6CN7C[C@H](CC[C@H]7[C@@](C6[C@H]([C@@H]([C@]5(C4[C@@H](C3)OC(=O)C)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C
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Product OPENEYE NAME: (3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta
CAS Name: (3S,5S,10S,13R,14S,17R)-3-[[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-3-oxanyl]oxymethyl]-3,5-dihydroxy-4-methoxy-2-oxanyl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-car
IUPAC NAME: (3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carba
SYSTEMATIC NAME: (3S,5S,10S,13R,14S,17R)-3-[(2R,5R)-4-methoxy-6-[[(3R,6S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-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
MOLECULAR FORMULA: C36H54O14
MOLECULAR WEIGHT: 710.80556
SMILES: CC1[C@@H](C(C[C@H](O1)O)O)OCC2[C@H](C(C([C@@H](O2)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)O)OC)O
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Product OPENEYE NAME: 3-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,10R,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O6
MOLECULAR WEIGHT: 406.51246
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O
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Product OPENEYE NAME: bromo(trinitro)methane
CAS Name: bromo(trinitro)methane
IUPAC NAME: bromo(trinitro)methane
SYSTEMATIC NAME: bromanyl(trinitro)methane
MOLECULAR FORMULA: CBrN3O6
MOLECULAR WEIGHT: 229.9312
SMILES: C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])Br
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Product OPENEYE NAME: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-11-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
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Product OPENEYE NAME: 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine hydrochloride
CAS Name: 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine hydrochloride
IUPAC NAME: 2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H23Cl2NO
MOLECULAR WEIGHT: 340.28732
SMILES: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C.Cl
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Product OPENEYE NAME: N,N-dimethyl-2-[1-phenyl-1-(2-pyridyl)ethoxy]ethanamine; succinic acid
CAS Name: butanedioic acid; N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine
IUPAC NAME: butanedioic acid; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SYSTEMATIC NAME: butanedioic acid; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-yl-ethoxy)ethanamine
MOLECULAR FORMULA: C21H28N2O5
MOLECULAR WEIGHT: 388.45742
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O
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MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: C[C@]12CCC3C([C@@]14[C@H](O4)C[C@@H]2C5=COC(=O)C=C5)CC[C@]6([C@@]3(CC[C@@H](C6)O)C=O)O
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Product OPENEYE NAME: ethyl 1-(3-hydroxy-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylate
CAS Name: 1-(3-hydroxy-3-phenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-oxidanyl-3-phenyl-propyl)-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C23H29NO3
MOLECULAR WEIGHT: 367.48126
SMILES: CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3
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Product OPENEYE NAME: [diethoxyphosphanyl(diethyl)ammonio]-methoxy-phosphinate
CAS Name: [diethoxyphosphino(diethyl)ammonio]-methoxyphosphinate
IUPAC NAME: [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate
SYSTEMATIC NAME: [diethoxyphosphanyl(diethyl)azaniumyl]-methoxy-phosphinate
MOLECULAR FORMULA: C9H23NO5P2
MOLECULAR WEIGHT: 287.230142
SMILES: CC[N+](CC)(P(OCC)OCC)P(=O)([O-])OC
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Product OPENEYE NAME: diethoxyphosphanyl-diethyl-[hydroxy(methoxy)phosphoryl]ammonium
CAS Name: diethoxyphosphino-diethyl-[hydroxy(methoxy)phosphoryl]ammonium
IUPAC NAME: diethoxyphosphanyl-diethyl-[hydroxy(methoxy)phosphoryl]azanium
SYSTEMATIC NAME: diethoxyphosphanyl-diethyl-[methoxy(oxidanyl)phosphoryl]azanium
MOLECULAR FORMULA: C9H24NO5P2+
MOLECULAR WEIGHT: 288.238082
SMILES: CC[N+](CC)(P(OCC)OCC)P(=O)(O)OC
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Product OPENEYE NAME: 3,3-dimethylpentane
CAS Name: 3,3-dimethylpentane
IUPAC NAME: 3,3-dimethylpentane
SYSTEMATIC NAME: 3,3-dimethylpentane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCC(C)(C)CC
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Product OPENEYE NAME: 1-isopropyl-4-methyl-cyclohex-3-en-1-ol
CAS Name: 4-methyl-1-propan-2-yl-1-cyclohex-3-enol
IUPAC NAME: 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
SYSTEMATIC NAME: 4-methyl-1-propan-2-yl-cyclohex-3-en-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1=CCC(CC1)(C(C)C)O
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Product OPENEYE NAME: (1-ethynylcyclohexyl) N-carbamoylcarbamate
CAS Name: N-carbamoylcarbamic acid (1-ethynylcyclohexyl) ester
IUPAC NAME: (1-ethynylcyclohexyl) N-carbamoylcarbamate
SYSTEMATIC NAME: (1-ethynylcyclohexyl) N-aminocarbonylcarbamate
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: C#CC1(CCCCC1)OC(=O)NC(=O)N
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Product OPENEYE NAME: tris-m-tolyl phosphate
CAS Name: phosphoric acid tris(3-methylphenyl) ester
IUPAC NAME: tris(3-methylphenyl) phosphate
SYSTEMATIC NAME: tris(3-methylphenyl) phosphate
MOLECULAR FORMULA: C21H21O4P
MOLECULAR WEIGHT: 368.362801
SMILES: CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C
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Product OPENEYE NAME: 3,3-dimethylhexane
CAS Name: 3,3-dimethylhexane
IUPAC NAME: 3,3-dimethylhexane
SYSTEMATIC NAME: 3,3-dimethylhexane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCC(C)(C)CC
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Product OPENEYE NAME: 2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate
CAS Name: 2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate
IUPAC NAME: 2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C8H20NO6P
MOLECULAR WEIGHT: 257.221261
SMILES: C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
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