Product OPENEYE NAME: vinyl octanoate
CAS Name: octanoic acid ethenyl ester
IUPAC NAME: ethenyl octanoate
SYSTEMATIC NAME: ethenyl octanoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCCCCCC(=O)OC=C
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Product OPENEYE NAME: 2-hydroxyethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl prop-2-enoate
SYSTEMATIC NAME: 2-hydroxyethyl prop-2-enoate
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: C=CC(=O)OCCO
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Product OPENEYE NAME: oct-1-yn-3-ol
CAS Name: 1-octyn-3-ol
IUPAC NAME: oct-1-yn-3-ol
SYSTEMATIC NAME: oct-1-yn-3-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCCCCC(C#C)O
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Product OPENEYE NAME: calcium methanedisulfonate
CAS Name: calcium methanedisulfonate
IUPAC NAME: calcium methanedisulfonate
SYSTEMATIC NAME: calcium methanedisulfonate
MOLECULAR FORMULA: CH2CaO6S2
MOLECULAR WEIGHT: 214.23098
SMILES: C(S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2]
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Product OPENEYE NAME: N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide
CAS Name: N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide
IUPAC NAME: N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide
SYSTEMATIC NAME: N-methyl-N-[2,2,2-tris(fluoranyl)ethyl]nitrous amide
MOLECULAR FORMULA: C3H5F3N2O
MOLECULAR WEIGHT: 142.07981
SMILES: CN(CC(F)(F)F)N=O
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Product OPENEYE NAME: diisopropylammonium chloride
CAS Name: di(propan-2-yl)ammonium chloride
IUPAC NAME: di(propan-2-yl)azanium chloride
SYSTEMATIC NAME: di(propan-2-yl)azanium chloride
MOLECULAR FORMULA: C6H16ClN
MOLECULAR WEIGHT: 137.65094
SMILES: CC(C)[NH2+]C(C)C.[Cl-]
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Product OPENEYE NAME: tetrasodium; 2,3-dihydroxypropyl phosphate; [3-hydroxy-1-(2-hydroxyethyl)propyl] phosphate
CAS Name: tetrasodium; 1,5-dihydroxypentan-3-yl phosphate; 2,3-dihydroxypropyl phosphate
IUPAC NAME: tetrasodium; 1,5-dihydroxypentan-3-yl phosphate; 2,3-dihydroxypropyl phosphate
SYSTEMATIC NAME: tetrasodium; 1,5-bis(oxidanyl)pentan-3-yl phosphate; 2,3-bis(oxidanyl)propyl phosphate
MOLECULAR FORMULA: C8H18Na4O12P2
MOLECULAR WEIGHT: 460.127922
SMILES: C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: [3-hydroxy-1-(2-hydroxyethyl)propyl] dihydrogen phosphate
CAS Name: 1,5-dihydroxypentan-3-yl dihydrogen phosphate
IUPAC NAME: 1,5-dihydroxypentan-3-yl dihydrogen phosphate
SYSTEMATIC NAME: 1,5-bis(oxidanyl)pentan-3-yl dihydrogen phosphate
MOLECULAR FORMULA: C5H13O6P
MOLECULAR WEIGHT: 200.126881
SMILES: C(CO)C(CCO)OP(=O)(O)O
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Product OPENEYE NAME: sec-butyl butanoate
CAS Name: butanoic acid butan-2-yl ester
IUPAC NAME: butan-2-yl butanoate
SYSTEMATIC NAME: butan-2-yl butanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCC(=O)OC(C)CC
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Product OPENEYE NAME: decan-5-one
CAS Name: 5-decanone
IUPAC NAME: decan-5-one
SYSTEMATIC NAME: decan-5-one
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCCC(=O)CCCC
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Product OPENEYE NAME: 2-methylhexa-1,5-dien-3-yne
CAS Name: 2-methylhexa-1,5-dien-3-yne
IUPAC NAME: 2-methylhexa-1,5-dien-3-yne
SYSTEMATIC NAME: 2-methylhexa-1,5-dien-3-yne
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: CC(=C)C#CC=C
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Product OPENEYE NAME: hex-3-ene-2,5-dione
CAS Name: 3-hexene-2,5-dione
IUPAC NAME: hex-3-ene-2,5-dione
SYSTEMATIC NAME: hex-3-ene-2,5-dione
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC(=O)C=CC(=O)C
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Product OPENEYE NAME: 2-diazonio-1-[(2-hydrazino-2-oxo-ethyl)amino]ethenolate
CAS Name: 2-diazonio-1-[(2-hydrazinyl-2-oxoethyl)amino]ethenolate
IUPAC NAME: 2-diazonio-1-[(2-hydrazinyl-2-oxoethyl)amino]ethenolate
SYSTEMATIC NAME: 1-[(2-diazanyl-2-oxidanylidene-ethyl)amino]-2-diazonio-ethenolate
MOLECULAR FORMULA: C4H7N5O2
MOLECULAR WEIGHT: 157.13068
SMILES: C(C(=O)NN)NC(=C[N+]#N)[O-]
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Product OPENEYE NAME: 2-[(2-hydrazino-2-oxo-ethyl)amino]-2-hydroxy-ethenediazonium
CAS Name: 2-[(2-hydrazinyl-2-oxoethyl)amino]-2-hydroxyethenediazonium
IUPAC NAME: 2-[(2-hydrazinyl-2-oxoethyl)amino]-2-hydroxyethenediazonium
SYSTEMATIC NAME: 2-[(2-diazanyl-2-oxidanylidene-ethyl)amino]-2-oxidanyl-ethenediazonium
MOLECULAR FORMULA: C4H8N5O2+
MOLECULAR WEIGHT: 158.13862
SMILES: C(C(=O)NN)NC(=C[N+]#N)O
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Product OPENEYE NAME: 1,4-dibromobut-2-ene
CAS Name: 1,4-dibromo-2-butene
IUPAC NAME: 1,4-dibromobut-2-ene
SYSTEMATIC NAME: 1,4-bis(bromanyl)but-2-ene
MOLECULAR FORMULA: C4H6Br2
MOLECULAR WEIGHT: 213.89844
SMILES: C(C=CCBr)Br
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Product OPENEYE NAME: pent-4-en-1-ol
CAS Name: 4-penten-1-ol
IUPAC NAME: pent-4-en-1-ol
SYSTEMATIC NAME: pent-4-en-1-ol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C=CCCCO
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Product OPENEYE NAME: 1,4-dichlorobut-2-yne
CAS Name: 1,4-dichloro-2-butyne
IUPAC NAME: 1,4-dichlorobut-2-yne
SYSTEMATIC NAME: 1,4-bis(chloranyl)but-2-yne
MOLECULAR FORMULA: C4H4Cl2
MOLECULAR WEIGHT: 122.98056
SMILES: C(C#CCCl)Cl
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Product OPENEYE NAME: diethyldiazene
CAS Name: diethyldiazene
IUPAC NAME: diethyldiazene
SYSTEMATIC NAME: diethyldiazene
MOLECULAR FORMULA: C4H10N2
MOLECULAR WEIGHT: 86.1356
SMILES: CCN=NCC
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