Product OPENEYE NAME: 2-fluoroethyl 10-fluorodecanoate
CAS Name: 10-fluorodecanoic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl 10-fluorodecanoate
SYSTEMATIC NAME: 2-fluoranylethyl 10-fluoranyldecanoate
MOLECULAR FORMULA: C12H22F2O2
MOLECULAR WEIGHT: 236.298686
SMILES: C(CCCCC(=O)OCCF)CCCCF
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Product OPENEYE NAME: 2-methylhexane
CAS Name: 2-methylhexane
IUPAC NAME: 2-methylhexane
SYSTEMATIC NAME: 2-methylhexane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCCCC(C)C
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Product OPENEYE NAME: hexan-2-one
CAS Name: 2-hexanone
IUPAC NAME: hexan-2-one
SYSTEMATIC NAME: hexan-2-one
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCCCC(=O)C
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Product OPENEYE NAME: allyl acetate
CAS Name: acetic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl acetate
SYSTEMATIC NAME: prop-2-enyl ethanoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC(=O)OCC=C
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Product OPENEYE NAME: dipotassium tetracyanomercury(2-)
CAS Name: dipotassium tetracyanomercury(2-)
IUPAC NAME: dipotassium tetracyanomercury(2-)
SYSTEMATIC NAME: dipotassium tetracyanomercury(2-)
MOLECULAR FORMULA: C4HgK2N4
MOLECULAR WEIGHT: 382.8562
SMILES: C(#N)[Hg-2](C#N)(C#N)C#N.[K+].[K+]
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Product OPENEYE NAME: tetracyanomercury(2-)
CAS Name: tetracyanomercury(2-)
IUPAC NAME: tetracyanomercury(2-)
SYSTEMATIC NAME: tetracyanomercury(2-)
MOLECULAR FORMULA: C4HgN4-2
MOLECULAR WEIGHT: 304.6596
SMILES: C(#N)[Hg-2](C#N)(C#N)C#N
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Product OPENEYE NAME: penta-1,4-diene
CAS Name: penta-1,4-diene
IUPAC NAME: penta-1,4-diene
SYSTEMATIC NAME: penta-1,4-diene
MOLECULAR FORMULA: C5H8
MOLECULAR WEIGHT: 68.11702
SMILES: C=CCC=C
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Product OPENEYE NAME: penta-1,2-diene
CAS Name: penta-1,2-diene
IUPAC NAME: penta-1,2-diene
SYSTEMATIC NAME: penta-1,2-diene
MOLECULAR FORMULA: C5H8
MOLECULAR WEIGHT: 68.11702
SMILES: CCC=C=C
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Product OPENEYE NAME: 1-chlorobut-2-ene
CAS Name: 1-chloro-2-butene
IUPAC NAME: 1-chlorobut-2-ene
SYSTEMATIC NAME: 1-chloranylbut-2-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: CC=CCCl
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Product OPENEYE NAME: calcium dicyanide
CAS Name: calcium dicyanide
IUPAC NAME: calcium dicyanide
SYSTEMATIC NAME: calcium dicyanide
MOLECULAR FORMULA: C2CaN2
MOLECULAR WEIGHT: 92.1128
SMILES: [C-]#N.[C-]#N.[Ca+2]
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Product OPENEYE NAME: dicyanomercury
CAS Name: dicyanomercury
IUPAC NAME: dicyanomercury
SYSTEMATIC NAME: dicyanomercury
MOLECULAR FORMULA: C2HgN2
MOLECULAR WEIGHT: 252.6248
SMILES: C(#N)[Hg]C#N
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Product OPENEYE NAME: 2,5-dimethylhexane
CAS Name: 2,5-dimethylhexane
IUPAC NAME: 2,5-dimethylhexane
SYSTEMATIC NAME: 2,5-dimethylhexane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CC(C)CCC(C)C
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Product OPENEYE NAME: acetonyl acetate
CAS Name: acetic acid 2-oxopropyl ester
IUPAC NAME: 2-oxopropyl acetate
SYSTEMATIC NAME: 2-oxidanylidenepropyl ethanoate
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CC(=O)COC(=O)C
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Product OPENEYE NAME: 2-methylheptane
CAS Name: 2-methylheptane
IUPAC NAME: 2-methylheptane
SYSTEMATIC NAME: 2-methylheptane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCCCC(C)C
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Product OPENEYE NAME: butylurea
CAS Name: butylurea
IUPAC NAME: butylurea
SYSTEMATIC NAME: 1-butylurea
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CCCCNC(=O)N
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Product OPENEYE NAME: butyl carbamate
CAS Name: carbamic acid butyl ester
IUPAC NAME: butyl carbamate
SYSTEMATIC NAME: butyl carbamate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CCCCOC(=O)N
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Product OPENEYE NAME: hex-1-ene
CAS Name: 1-hexene
IUPAC NAME: hex-1-ene
SYSTEMATIC NAME: hex-1-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCCCC=C
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Product OPENEYE NAME: hexa-1,5-diene
CAS Name: hexa-1,5-diene
IUPAC NAME: hexa-1,5-diene
SYSTEMATIC NAME: hexa-1,5-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: C=CCCC=C
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Product OPENEYE NAME: hexa-1,4-diene
CAS Name: hexa-1,4-diene
IUPAC NAME: hexa-1,4-diene
SYSTEMATIC NAME: hexa-1,4-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC=CCC=C
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Product OPENEYE NAME: hexa-2,4-diene
CAS Name: hexa-2,4-diene
IUPAC NAME: hexa-2,4-diene
SYSTEMATIC NAME: hexa-2,4-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC=CC=CC
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Product OPENEYE NAME: hex-3-ene
CAS Name: 3-hexene
IUPAC NAME: hex-3-ene
SYSTEMATIC NAME: hex-3-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC=CCC
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Product OPENEYE NAME: hexa-1,3-diene
CAS Name: hexa-1,3-diene
IUPAC NAME: hexa-1,3-diene
SYSTEMATIC NAME: hexa-1,3-diene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCC=CC=C
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Product OPENEYE NAME: 1-fluoropentane
CAS Name: 1-fluoropentane
IUPAC NAME: 1-fluoropentane
SYSTEMATIC NAME: 1-fluoranylpentane
MOLECULAR FORMULA: C5H11F
MOLECULAR WEIGHT: 90.139243
SMILES: CCCCCF
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Product OPENEYE NAME: pent-4-enenitrile
CAS Name: 4-pentenenitrile
IUPAC NAME: pent-4-enenitrile
SYSTEMATIC NAME: pent-4-enenitrile
MOLECULAR FORMULA: C5H7N
MOLECULAR WEIGHT: 81.11578
SMILES: C=CCCC#N
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