Product OPENEYE NAME: isopropyl carbonochloridate
CAS Name: carbonochloridic acid propan-2-yl ester
IUPAC NAME: propan-2-yl carbonochloridate
SYSTEMATIC NAME: propan-2-yl carbonochloridate
MOLECULAR FORMULA: C4H7ClO2
MOLECULAR WEIGHT: 122.55018
SMILES: CC(C)OC(=O)Cl
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Product OPENEYE NAME: acetyl acetate
CAS Name: acetic acid acetyl ester
IUPAC NAME: acetyl acetate
SYSTEMATIC NAME: ethanoyl ethanoate
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: CC(=O)OC(=O)C
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Product OPENEYE NAME: isopropoxymethanedithioic acid
CAS Name: propan-2-yloxymethanedithioic acid
IUPAC NAME: propan-2-yloxymethanedithioic acid
SYSTEMATIC NAME: propan-2-yloxymethanedithioic acid
MOLECULAR FORMULA: C4H8OS2
MOLECULAR WEIGHT: 136.23572
SMILES: CC(C)OC(=S)S
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Product OPENEYE NAME: 3-methyl-1,4-dihydropyrazol-5-one
CAS Name: 3-methyl-1,4-dihydropyrazol-5-one
IUPAC NAME: 3-methyl-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 3-methyl-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: CC1=NNC(=O)C1
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Product OPENEYE NAME: 5-methyltetrahydrofuran-2-one
CAS Name: 5-methyl-2-oxolanone
IUPAC NAME: 5-methyloxolan-2-one
SYSTEMATIC NAME: 5-methyloxolan-2-one
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC1CCC(=O)O1
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Product OPENEYE NAME: tetrahydrofuran-2,5-dione
CAS Name: oxolane-2,5-dione
IUPAC NAME: oxolane-2,5-dione
SYSTEMATIC NAME: oxolane-2,5-dione
MOLECULAR FORMULA: C4H4O3
MOLECULAR WEIGHT: 100.07276
SMILES: C1CC(=O)OC1=O
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Product OPENEYE NAME: furan-2,5-dione
CAS Name: furan-2,5-dione
IUPAC NAME: furan-2,5-dione
SYSTEMATIC NAME: furan-2,5-dione
MOLECULAR FORMULA: C4H2O3
MOLECULAR WEIGHT: 98.05688
SMILES: C1=CC(=O)OC1=O
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Product OPENEYE NAME: 4-methyl-1,3-dioxolan-2-one
CAS Name: 4-methyl-1,3-dioxolan-2-one
IUPAC NAME: 4-methyl-1,3-dioxolan-2-one
SYSTEMATIC NAME: 4-methyl-1,3-dioxolan-2-one
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: CC1COC(=O)O1
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Product OPENEYE NAME: diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
CAS Name: phosphoric acid diethyl (5-methyl-1H-pyrazol-3-yl) ester
IUPAC NAME: diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
SYSTEMATIC NAME: diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
MOLECULAR FORMULA: C8H15N2O4P
MOLECULAR WEIGHT: 234.189461
SMILES: CCOP(=O)(OCC)OC1=NNC(=C1)C
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Product OPENEYE NAME: diethoxy-[(5-methyl-1H-pyrazol-3-yl)oxy]-thioxo-$l^{5}-phosphane
CAS Name: diethoxy-[(5-methyl-1H-pyrazol-3-yl)oxy]-sulfanylidenephosphorane
IUPAC NAME: diethoxy-[(5-methyl-1H-pyrazol-3-yl)oxy]-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-[(5-methyl-1H-pyrazol-3-yl)oxy]-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H15N2O3PS
MOLECULAR WEIGHT: 250.255061
SMILES: CCOP(=S)(OCC)OC1=NNC(=C1)C
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Product OPENEYE NAME: 1,3-dibromobenzene
CAS Name: 1,3-dibromobenzene
IUPAC NAME: 1,3-dibromobenzene
SYSTEMATIC NAME: 1,3-bis(bromanyl)benzene
MOLECULAR FORMULA: C6H4Br2
MOLECULAR WEIGHT: 235.90396
SMILES: C1=CC(=CC(=C1)Br)Br
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Product OPENEYE NAME: 1-bromo-3-chloro-benzene
CAS Name: 1-bromo-3-chlorobenzene
IUPAC NAME: 1-bromo-3-chlorobenzene
SYSTEMATIC NAME: 1-bromanyl-3-chloranyl-benzene
MOLECULAR FORMULA: C6H4BrCl
MOLECULAR WEIGHT: 191.45296
SMILES: C1=CC(=CC(=C1)Br)Cl
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Product OPENEYE NAME: m-xylene
CAS Name: 1,3-xylene
IUPAC NAME: 1,3-xylene
SYSTEMATIC NAME: 1,3-dimethylbenzene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1=CC(=CC=C1)C
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Product OPENEYE NAME: 3-methylbenzenethiol
CAS Name: 3-methylbenzenethiol
IUPAC NAME: 3-methylbenzenethiol
SYSTEMATIC NAME: 3-methylbenzenethiol
MOLECULAR FORMULA: C7H8S
MOLECULAR WEIGHT: 124.20342
SMILES: CC1=CC(=CC=C1)S
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Product OPENEYE NAME: 1-chloro-3-methyl-benzene
CAS Name: 1-chloro-3-methylbenzene
IUPAC NAME: 1-chloro-3-methylbenzene
SYSTEMATIC NAME: 1-chloranyl-3-methyl-benzene
MOLECULAR FORMULA: C7H7Cl
MOLECULAR WEIGHT: 126.58348
SMILES: CC1=CC(=CC=C1)Cl
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Product OPENEYE NAME: 3-chloroaniline
CAS Name: 3-chloroaniline
IUPAC NAME: 3-chloroaniline
SYSTEMATIC NAME: 3-chloranylaniline
MOLECULAR FORMULA: C6H6ClN
MOLECULAR WEIGHT: 127.57154
SMILES: C1=CC(=CC(=C1)Cl)N
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Product OPENEYE NAME: 3-chlorophenol
CAS Name: 3-chlorophenol
IUPAC NAME: 3-chlorophenol
SYSTEMATIC NAME: 3-chloranylphenol
MOLECULAR FORMULA: C6H5ClO
MOLECULAR WEIGHT: 128.5563
SMILES: C1=CC(=CC(=C1)Cl)O
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Product OPENEYE NAME: 3-methylaniline
CAS Name: 3-methylaniline
IUPAC NAME: 3-methylaniline
SYSTEMATIC NAME: 3-methylaniline
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CC1=CC(=CC=C1)N
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Product OPENEYE NAME: benzene-1,3-diamine
CAS Name: benzene-1,3-diamine
IUPAC NAME: benzene-1,3-diamine
SYSTEMATIC NAME: benzene-1,3-diamine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: C1=CC(=CC(=C1)N)N
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