Product OPENEYE NAME: pentanedinitrile
CAS Name: pentanedinitrile
IUPAC NAME: pentanedinitrile
SYSTEMATIC NAME: pentanedinitrile
MOLECULAR FORMULA: C5H6N2
MOLECULAR WEIGHT: 94.11454
SMILES: C(CC#N)CC#N
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Product OPENEYE NAME: chloro(pentyl)mercury
CAS Name: chloro(pentyl)mercury
IUPAC NAME: chloro(pentyl)mercury
SYSTEMATIC NAME: chloranyl(pentyl)mercury
MOLECULAR FORMULA: C5H11ClHg
MOLECULAR WEIGHT: 307.18384
SMILES: CCCCC[Hg]Cl
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Product OPENEYE NAME: butyl nitrite
CAS Name: nitrous acid butyl ester
IUPAC NAME: butyl nitrite
SYSTEMATIC NAME: butyl nitrite
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCCCON=O
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Product OPENEYE NAME: calcium diformate
CAS Name: calcium diformate
IUPAC NAME: calcium diformate
SYSTEMATIC NAME: calcium dimethanoate
MOLECULAR FORMULA: C2H2CaO4
MOLECULAR WEIGHT: 130.11288
SMILES: C(=O)[O-].C(=O)[O-].[Ca+2]
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Product OPENEYE NAME: cobaltous diformate
CAS Name: cobalt(2+) diformate
IUPAC NAME: cobalt(2+) diformate
SYSTEMATIC NAME: cobalt(2+) dimethanoate
MOLECULAR FORMULA: C2H2CoO4
MOLECULAR WEIGHT: 148.96808
SMILES: C(=O)[O-].C(=O)[O-].[Co+2]
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Product OPENEYE NAME: copper diformate
CAS Name: copper diformate
IUPAC NAME: copper diformate
SYSTEMATIC NAME: copper dimethanoate
MOLECULAR FORMULA: C2H2CuO4
MOLECULAR WEIGHT: 153.58088
SMILES: C(=O)[O-].C(=O)[O-].[Cu+2]
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Product OPENEYE NAME: cyclohepta-1,3,5-triene
CAS Name: cyclohepta-1,3,5-triene
IUPAC NAME: cyclohepta-1,3,5-triene
SYSTEMATIC NAME: cyclohepta-1,3,5-triene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C1C=CC=CC=C1
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Product OPENEYE NAME: ethyl octadeca-9,12-dienoate
CAS Name: octadeca-9,12-dienoic acid ethyl ester
IUPAC NAME: ethyl octadeca-9,12-dienoate
SYSTEMATIC NAME: ethyl octadeca-9,12-dienoate
MOLECULAR FORMULA: C20H36O2
MOLECULAR WEIGHT: 308.49864
SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC
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Product OPENEYE NAME: 1-butylsulfanylbutane
CAS Name: 1-(butylthio)butane
IUPAC NAME: 1-butylsulfanylbutane
SYSTEMATIC NAME: 1-butylsulfanylbutane
MOLECULAR FORMULA: C8H18S
MOLECULAR WEIGHT: 146.29352
SMILES: CCCCSCCCC
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Product OPENEYE NAME: 9-fluorononan-2-one
CAS Name: 9-fluoro-2-nonanone
IUPAC NAME: 9-fluorononan-2-one
SYSTEMATIC NAME: 9-fluoranylnonan-2-one
MOLECULAR FORMULA: C9H17FO
MOLECULAR WEIGHT: 160.229083
SMILES: CC(=O)CCCCCCCF
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Product OPENEYE NAME: 8-hydroxyocta-2,4,6-triynamide
CAS Name: 8-hydroxyocta-2,4,6-triynamide
IUPAC NAME: 8-hydroxyocta-2,4,6-triynamide
SYSTEMATIC NAME: 8-oxidanylocta-2,4,6-triynamide
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C(C#CC#CC#CC(=O)N)O
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Product OPENEYE NAME: tetradecanoic acid
CAS Name: tetradecanoic acid
IUPAC NAME: tetradecanoic acid
SYSTEMATIC NAME: tetradecanoic acid
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCCCCCCCCCCC(=O)O
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Product OPENEYE NAME: hexadecane
CAS Name: hexadecane
IUPAC NAME: hexadecane
SYSTEMATIC NAME: hexadecane
MOLECULAR FORMULA: C16H34
MOLECULAR WEIGHT: 226.44116
SMILES: CCCCCCCCCCCCCCCC
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Product OPENEYE NAME: 1-iodohexadecane
CAS Name: 1-iodohexadecane
IUPAC NAME: 1-iodohexadecane
SYSTEMATIC NAME: 1-iodanylhexadecane
MOLECULAR FORMULA: C16H33I
MOLECULAR WEIGHT: 352.33769
SMILES: CCCCCCCCCCCCCCCCI
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Product OPENEYE NAME: dotriacontane
CAS Name: dotriacontane
IUPAC NAME: dotriacontane
SYSTEMATIC NAME: dotriacontane
MOLECULAR FORMULA: C32H66
MOLECULAR WEIGHT: 450.86644
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: cuprous cyanide
CAS Name: copper(1+) cyanide
IUPAC NAME: copper(1+) cyanide
SYSTEMATIC NAME: copper(1+) cyanide
MOLECULAR FORMULA: CCuN
MOLECULAR WEIGHT: 89.5634
SMILES: [C-]#N.[Cu+]
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Product OPENEYE NAME: zinc carbanide
CAS Name: zinc carbanide
IUPAC NAME: zinc carbanide
SYSTEMATIC NAME: zinc carbanide
MOLECULAR FORMULA: C2H6Zn
MOLECULAR WEIGHT: 95.47804
SMILES: [CH3-].[CH3-].[Zn+2]
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Product OPENEYE NAME: 2,2,2-trichloroacetonitrile
CAS Name: 2,2,2-trichloroacetonitrile
IUPAC NAME: 2,2,2-trichloroacetonitrile
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethanenitrile
MOLECULAR FORMULA: C2Cl3N
MOLECULAR WEIGHT: 144.3871
SMILES: C(#N)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S,16S,17R)-10,13-dimethyl-3,14,16-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O
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Product OPENEYE NAME: 3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[[(2S,5S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,11R,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,11R,13R,14S,17R)-10,13-dimethyl-3-[(2S,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-11,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O9
MOLECULAR WEIGHT: 536.65426
SMILES: CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O)O
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Product OPENEYE NAME: 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(10R,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC=C5[C@@]3(CCC=C5)C
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