Product OPENEYE NAME: 1-ethyl-1-nitroso-urea
CAS Name: 1-ethyl-1-nitrosourea
IUPAC NAME: 1-ethyl-1-nitrosourea
SYSTEMATIC NAME: 1-ethyl-1-nitroso-urea
MOLECULAR FORMULA: C3H7N3O2
MOLECULAR WEIGHT: 117.10658
SMILES: CCN(C(=O)N)N=O
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Product OPENEYE NAME: S-ethyl N,N-dipropylcarbamothioate
CAS Name: N,N-dipropylcarbamothioic acid S-ethyl ester
IUPAC NAME: S-ethyl N,N-dipropylcarbamothioate
SYSTEMATIC NAME: S-ethyl N,N-dipropylcarbamothioate
MOLECULAR FORMULA: C9H19NOS
MOLECULAR WEIGHT: 189.31826
SMILES: CCCN(CCC)C(=O)SCC
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Product OPENEYE NAME: 3-methylpent-1-ene
CAS Name: 3-methyl-1-pentene
IUPAC NAME: 3-methylpent-1-ene
SYSTEMATIC NAME: 3-methylpent-1-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC(C)C=C
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Product OPENEYE NAME: 3-methylenepentane
CAS Name: 3-methylenepentane
IUPAC NAME: 3-methylidenepentane
SYSTEMATIC NAME: 3-methylidenepentane
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC(=C)CC
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Product OPENEYE NAME: 3,4-dichlorobut-1-ene
CAS Name: 3,4-dichloro-1-butene
IUPAC NAME: 3,4-dichlorobut-1-ene
SYSTEMATIC NAME: 3,4-bis(chloranyl)but-1-ene
MOLECULAR FORMULA: C4H6Cl2
MOLECULAR WEIGHT: 124.99644
SMILES: C=CC(CCl)Cl
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Product OPENEYE NAME: 2-octylpropanedioic acid
CAS Name: 2-octylpropanedioic acid
IUPAC NAME: 2-octylpropanedioic acid
SYSTEMATIC NAME: 2-octylpropanedioic acid
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCCCCCCC(C(=O)O)C(=O)O
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Product OPENEYE NAME: N,N-dimethylbutanamide
CAS Name: N,N-dimethylbutanamide
IUPAC NAME: N,N-dimethylbutanamide
SYSTEMATIC NAME: N,N-dimethylbutanamide
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CCCC(=O)N(C)C
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Product OPENEYE NAME: 2-methylprop-2-enoyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid (2-methyl-1-oxoprop-2-enyl) ester
IUPAC NAME: 2-methylprop-2-enoyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-methylprop-2-enoyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CC(=C)C(=O)OC(=O)C(=C)C
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Product OPENEYE NAME: N,N-dibutylformamide
CAS Name: N,N-dibutylformamide
IUPAC NAME: N,N-dibutylformamide
SYSTEMATIC NAME: N,N-dibutylmethanamide
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CCCCN(CCCC)C=O
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Product OPENEYE NAME: methyl N-carbamoylcarbamate
CAS Name: N-carbamoylcarbamic acid methyl ester
IUPAC NAME: methyl N-carbamoylcarbamate
SYSTEMATIC NAME: methyl N-aminocarbonylcarbamate
MOLECULAR FORMULA: C3H6N2O3
MOLECULAR WEIGHT: 118.09134
SMILES: COC(=O)NC(=O)N
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Product OPENEYE NAME: diethyl hydrogen phosphite
CAS Name: diethyl hydrogen phosphite
IUPAC NAME: diethyl hydrogen phosphite
SYSTEMATIC NAME: diethyl hydrogen phosphite
MOLECULAR FORMULA: C4H11O3P
MOLECULAR WEIGHT: 138.102101
SMILES: CCOP(O)OCC
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Product OPENEYE NAME: nonanoyl nonaneperoxoate
CAS Name: nonaneperoxoic acid 1-oxononyl ester
IUPAC NAME: nonanoyl nonaneperoxoate
SYSTEMATIC NAME: nonanoyl nonaneperoxoate
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCCCCCCCC(=O)OOC(=O)CCCCCCCC
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Product OPENEYE NAME: octanoyl octaneperoxoate
CAS Name: octaneperoxoic acid 1-oxooctyl ester
IUPAC NAME: octanoyl octaneperoxoate
SYSTEMATIC NAME: octanoyl octaneperoxoate
MOLECULAR FORMULA: C16H30O4
MOLECULAR WEIGHT: 286.407
SMILES: CCCCCCCC(=O)OOC(=O)CCCCCCC
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Product OPENEYE NAME: dimethyl but-2-ynedioate
CAS Name: 2-butynedioic acid dimethyl ester
IUPAC NAME: dimethyl but-2-ynedioate
SYSTEMATIC NAME: dimethyl but-2-ynedioate
MOLECULAR FORMULA: C6H6O4
MOLECULAR WEIGHT: 142.10944
SMILES: COC(=O)C#CC(=O)OC
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Product OPENEYE NAME: 2-hydroperoxyheptane
CAS Name: 2-hydroperoxyheptane
IUPAC NAME: 2-hydroperoxyheptane
SYSTEMATIC NAME: 2-(dioxidanyl)heptane
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCCCCC(C)OO
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Product OPENEYE NAME: 1-bromo-2-fluoro-ethane
CAS Name: 1-bromo-2-fluoroethane
IUPAC NAME: 1-bromo-2-fluoroethane
SYSTEMATIC NAME: 1-bromanyl-2-fluoranyl-ethane
MOLECULAR FORMULA: C2H4BrF
MOLECULAR WEIGHT: 126.955563
SMILES: C(CBr)F
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Product OPENEYE NAME: 1-chloro-2-fluoro-ethane
CAS Name: 1-chloro-2-fluoroethane
IUPAC NAME: 1-chloro-2-fluoroethane
SYSTEMATIC NAME: 1-chloranyl-2-fluoranyl-ethane
MOLECULAR FORMULA: C2H4ClF
MOLECULAR WEIGHT: 82.504563
SMILES: C(CCl)F
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Product OPENEYE NAME: 4,4-dimethylpent-1-ene
CAS Name: 4,4-dimethyl-1-pentene
IUPAC NAME: 4,4-dimethylpent-1-ene
SYSTEMATIC NAME: 4,4-dimethylpent-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CC(C)(C)CC=C
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Product OPENEYE NAME: N-tert-butylacetamide
CAS Name: N-tert-butylacetamide
IUPAC NAME: N-tert-butylacetamide
SYSTEMATIC NAME: N-tert-butylethanamide
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CC(=O)NC(C)(C)C
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Product OPENEYE NAME: 2-methylpent-1-ene
CAS Name: 2-methyl-1-pentene
IUPAC NAME: 2-methylpent-1-ene
SYSTEMATIC NAME: 2-methylpent-1-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCCC(=C)C
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Product OPENEYE NAME: 2-methylpenta-1,4-diene
CAS Name: 2-methylpenta-1,4-diene
IUPAC NAME: 2-methylpenta-1,4-diene
SYSTEMATIC NAME: 2-methylpenta-1,4-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC(=C)CC=C
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Product OPENEYE NAME: 3-methylbut-3-en-1-ol
CAS Name: 3-methyl-3-buten-1-ol
IUPAC NAME: 3-methylbut-3-en-1-ol
SYSTEMATIC NAME: 3-methylbut-3-en-1-ol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CC(=C)CCO
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Product OPENEYE NAME: ethyl 3-ethoxypropanoate
CAS Name: 3-ethoxypropanoic acid ethyl ester
IUPAC NAME: ethyl 3-ethoxypropanoate
SYSTEMATIC NAME: ethyl 3-ethoxypropanoate
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCOCCC(=O)OCC
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Product OPENEYE NAME: but-2-yn-1-ol
CAS Name: 2-butyn-1-ol
IUPAC NAME: but-2-yn-1-ol
SYSTEMATIC NAME: but-2-yn-1-ol
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: CC#CCO
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