Product OPENEYE NAME: 2-methylpent-2-enal
CAS Name: 2-methyl-2-pentenal
IUPAC NAME: 2-methylpent-2-enal
SYSTEMATIC NAME: 2-methylpent-2-enal
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CCC=C(C)C=O
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Product OPENEYE NAME: hexan-3-ol
CAS Name: 3-hexanol
IUPAC NAME: hexan-3-ol
SYSTEMATIC NAME: hexan-3-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCC(CC)O
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Product OPENEYE NAME: 3-oxopentanal
CAS Name: 3-oxopentanal
IUPAC NAME: 3-oxopentanal
SYSTEMATIC NAME: 3-oxidanylidenepentanal
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCC(=O)CC=O
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Product OPENEYE NAME: methyl butanoate
CAS Name: butanoic acid methyl ester
IUPAC NAME: methyl butanoate
SYSTEMATIC NAME: methyl butanoate
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CCCC(=O)OC
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Product OPENEYE NAME: methyl but-2-enoate
CAS Name: 2-butenoic acid methyl ester
IUPAC NAME: methyl but-2-enoate
SYSTEMATIC NAME: methyl but-2-enoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC=CC(=O)OC
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Product OPENEYE NAME: ethyl prop-2-ynoate
CAS Name: 2-propynoic acid ethyl ester
IUPAC NAME: ethyl prop-2-ynoate
SYSTEMATIC NAME: ethyl prop-2-ynoate
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: CCOC(=O)C#C
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Product OPENEYE NAME: ethyl 2-iodoacetate
CAS Name: 2-iodoacetic acid ethyl ester
IUPAC NAME: ethyl 2-iodoacetate
SYSTEMATIC NAME: ethyl 2-iodanylethanoate
MOLECULAR FORMULA: C4H7IO2
MOLECULAR WEIGHT: 214.00165
SMILES: CCOC(=O)CI
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Product OPENEYE NAME: ethyl 2-hydroxyacetate
CAS Name: 2-hydroxyacetic acid ethyl ester
IUPAC NAME: ethyl 2-hydroxyacetate
SYSTEMATIC NAME: ethyl 2-oxidanylethanoate
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: CCOC(=O)CO
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Product OPENEYE NAME: ethyl 2-sulfanylacetate
CAS Name: 2-mercaptoacetic acid ethyl ester
IUPAC NAME: ethyl 2-sulfanylacetate
SYSTEMATIC NAME: ethyl 2-sulfanylethanoate
MOLECULAR FORMULA: C4H8O2S
MOLECULAR WEIGHT: 120.17012
SMILES: CCOC(=O)CS
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Product OPENEYE NAME: 5-methylhexan-3-ol
CAS Name: 5-methyl-3-hexanol
IUPAC NAME: 5-methylhexan-3-ol
SYSTEMATIC NAME: 5-methylhexan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(CC(C)C)O
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Product OPENEYE NAME: 5-methylhexan-3-one
CAS Name: 5-methyl-3-hexanone
IUPAC NAME: 5-methylhexan-3-one
SYSTEMATIC NAME: 5-methylhexan-3-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(=O)CC(C)C
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Product OPENEYE NAME: but-2-enoyl but-2-enoate
CAS Name: 2-butenoic acid 1-oxobut-2-enyl ester
IUPAC NAME: but-2-enoyl but-2-enoate
SYSTEMATIC NAME: but-2-enoyl but-2-enoate
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CC=CC(=O)OC(=O)C=CC
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Product OPENEYE NAME: 1,3-dimethoxypropan-2-ol
CAS Name: 1,3-dimethoxy-2-propanol
IUPAC NAME: 1,3-dimethoxypropan-2-ol
SYSTEMATIC NAME: 1,3-dimethoxypropan-2-ol
MOLECULAR FORMULA: C5H12O3
MOLECULAR WEIGHT: 120.14698
SMILES: COCC(COC)O
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Product OPENEYE NAME: ethyl but-2-enoate
CAS Name: 2-butenoic acid ethyl ester
IUPAC NAME: ethyl but-2-enoate
SYSTEMATIC NAME: ethyl but-2-enoate
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCOC(=O)C=CC
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Product OPENEYE NAME: 2-diazonio-1-ethoxy-ethenolate
CAS Name: 2-diazonio-1-ethoxyethenolate
IUPAC NAME: 2-diazonio-1-ethoxyethenolate
SYSTEMATIC NAME: 2-diazonio-1-ethoxy-ethenolate
MOLECULAR FORMULA: C4H6N2O2
MOLECULAR WEIGHT: 114.10264
SMILES: CCOC(=C[N+]#N)[O-]
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Product OPENEYE NAME: 2-ethoxy-2-hydroxy-ethenediazonium
CAS Name: 2-ethoxy-2-hydroxyethenediazonium
IUPAC NAME: 2-ethoxy-2-hydroxyethenediazonium
SYSTEMATIC NAME: 2-ethoxy-2-oxidanyl-ethenediazonium
MOLECULAR FORMULA: C4H7N2O2+
MOLECULAR WEIGHT: 115.11058
SMILES: CCOC(=C[N+]#N)O
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Product OPENEYE NAME: 1,3-diethylurea
CAS Name: 1,3-diethylurea
IUPAC NAME: 1,3-diethylurea
SYSTEMATIC NAME: 1,3-diethylurea
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CCNC(=O)NCC
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Product OPENEYE NAME: ethyl N-ethylcarbamate
CAS Name: N-ethylcarbamic acid ethyl ester
IUPAC NAME: ethyl N-ethylcarbamate
SYSTEMATIC NAME: ethyl N-ethylcarbamate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CCNC(=O)OCC
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