Product OPENEYE NAME: cyclohexa-1,3-diene
CAS Name: cyclohexa-1,3-diene
IUPAC NAME: cyclohexa-1,3-diene
SYSTEMATIC NAME: cyclohexa-1,3-diene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C1CC=CC=C1
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Product OPENEYE NAME: acetoxymethylimino-methyl-oxido-ammonium
CAS Name: acetyloxymethylimino-methyl-oxidoammonium
IUPAC NAME: acetyloxymethylimino-methyl-oxidoazanium
SYSTEMATIC NAME: acetyloxymethylimino-methyl-oxidanidyl-azanium
MOLECULAR FORMULA: C4H8N2O3
MOLECULAR WEIGHT: 132.11792
SMILES: CC(=O)OCN=[N+](C)[O-]
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Product OPENEYE NAME: 1-isobutylsulfanyl-2-methyl-propane hydrate
CAS Name: 2-methyl-1-(2-methylpropylthio)propane hydrate
IUPAC NAME: 2-methyl-1-(2-methylpropylsulfanyl)propane hydrate
SYSTEMATIC NAME: 2-methyl-1-(2-methylpropylsulfanyl)propane hydrate
MOLECULAR FORMULA: C8H20OS
MOLECULAR WEIGHT: 164.3088
SMILES: CC(C)CSCC(C)C.O
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Product OPENEYE NAME: 1-isobutylsulfanyl-2-methyl-propane
CAS Name: 2-methyl-1-(2-methylpropylthio)propane
IUPAC NAME: 2-methyl-1-(2-methylpropylsulfanyl)propane
SYSTEMATIC NAME: 2-methyl-1-(2-methylpropylsulfanyl)propane
MOLECULAR FORMULA: C8H18S
MOLECULAR WEIGHT: 146.29352
SMILES: CC(C)CSCC(C)C
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Product OPENEYE NAME: hexyl N-hydroxycarbamate
CAS Name: N-hydroxycarbamic acid hexyl ester
IUPAC NAME: hexyl N-hydroxycarbamate
SYSTEMATIC NAME: hexyl N-oxidanylcarbamate
MOLECULAR FORMULA: C7H15NO3
MOLECULAR WEIGHT: 161.1989
SMILES: CCCCCCOC(=O)NO
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Product OPENEYE NAME: hept-1-ene
CAS Name: 1-heptene
IUPAC NAME: hept-1-ene
SYSTEMATIC NAME: hept-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCCCC=C
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Product OPENEYE NAME: hept-2-ene
CAS Name: 2-heptene
IUPAC NAME: hept-2-ene
SYSTEMATIC NAME: hept-2-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCCC=CC
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Product OPENEYE NAME: hept-3-ene
CAS Name: 3-heptene
IUPAC NAME: hept-3-ene
SYSTEMATIC NAME: hept-3-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCC=CCC
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Product OPENEYE NAME: 1-isothiocyanatobutane
CAS Name: 1-isothiocyanatobutane
IUPAC NAME: 1-isothiocyanatobutane
SYSTEMATIC NAME: 1-isothiocyanatobutane
MOLECULAR FORMULA: C5H9NS
MOLECULAR WEIGHT: 115.19666
SMILES: CCCCN=C=S
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Product OPENEYE NAME: butyl formate
CAS Name: formic acid butyl ester
IUPAC NAME: butyl formate
SYSTEMATIC NAME: butyl methanoate
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CCCCOC=O
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Product OPENEYE NAME: mercuric dithiocyanate
CAS Name: mercury(2+) dithiocyanate
IUPAC NAME: mercury(2+) dithiocyanate
SYSTEMATIC NAME: mercury(2+) dithiocyanate
MOLECULAR FORMULA: C2HgN2S2
MOLECULAR WEIGHT: 316.7548
SMILES: C(#N)[S-].C(#N)[S-].[Hg+2]
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Product OPENEYE NAME: plumbous dithiocyanate
CAS Name: lead(2+) dithiocyanate
IUPAC NAME: lead(2+) dithiocyanate
SYSTEMATIC NAME: lead(2+) dithiocyanate
MOLECULAR FORMULA: C2N2PbS2
MOLECULAR WEIGHT: 323.3648
SMILES: C(#N)[S-].C(#N)[S-].[Pb+2]
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Product OPENEYE NAME: 3-allylsulfanylprop-1-ene
CAS Name: 3-(prop-2-enylthio)-1-propene
IUPAC NAME: 3-prop-2-enylsulfanylprop-1-ene
SYSTEMATIC NAME: 3-prop-2-enylsulfanylprop-1-ene
MOLECULAR FORMULA: C6H10S
MOLECULAR WEIGHT: 114.2086
SMILES: C=CCSCC=C
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Product OPENEYE NAME: oxepane
CAS Name: oxepane
IUPAC NAME: oxepane
SYSTEMATIC NAME: oxepane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: C1CCCOCC1
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Product OPENEYE NAME: 8-fluorooctan-2-one
CAS Name: 8-fluoro-2-octanone
IUPAC NAME: 8-fluorooctan-2-one
SYSTEMATIC NAME: 8-fluoranyloctan-2-one
MOLECULAR FORMULA: C8H15FO
MOLECULAR WEIGHT: 146.202503
SMILES: CC(=O)CCCCCCF
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Product OPENEYE NAME: 4-isothiocyanato-1-methylsulfinyl-but-1-ene
CAS Name: 4-isothiocyanato-1-methylsulfinyl-1-butene
IUPAC NAME: 4-isothiocyanato-1-methylsulfinylbut-1-ene
SYSTEMATIC NAME: 4-isothiocyanato-1-methylsulfinyl-but-1-ene
MOLECULAR FORMULA: C6H9NOS2
MOLECULAR WEIGHT: 175.27176
SMILES: CS(=O)C=CCCN=C=S
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Product OPENEYE NAME: oct-4-ene
CAS Name: 4-octene
IUPAC NAME: oct-4-ene
SYSTEMATIC NAME: oct-4-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCCC=CCCC
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Product OPENEYE NAME: tridecan-2-one
CAS Name: 2-tridecanone
IUPAC NAME: tridecan-2-one
SYSTEMATIC NAME: tridecan-2-one
MOLECULAR FORMULA: C13H26O
MOLECULAR WEIGHT: 198.34494
SMILES: CCCCCCCCCCCC(=O)C
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Product OPENEYE NAME: 12-fluorododecan-2-one
CAS Name: 12-fluoro-2-dodecanone
IUPAC NAME: 12-fluorododecan-2-one
SYSTEMATIC NAME: 12-fluoranyldodecan-2-one
MOLECULAR FORMULA: C12H23FO
MOLECULAR WEIGHT: 202.308823
SMILES: CC(=O)CCCCCCCCCCF
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Product OPENEYE NAME: 12-fluorododecanoic acid
CAS Name: 12-fluorododecanoic acid
IUPAC NAME: 12-fluorododecanoic acid
SYSTEMATIC NAME: 12-fluoranyldodecanoic acid
MOLECULAR FORMULA: C12H23FO2
MOLECULAR WEIGHT: 218.308223
SMILES: C(CCCCCC(=O)O)CCCCCF
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Product OPENEYE NAME: 1-bromo-8-fluoro-octane
CAS Name: 1-bromo-8-fluorooctane
IUPAC NAME: 1-bromo-8-fluorooctane
SYSTEMATIC NAME: 1-bromanyl-8-fluoranyl-octane
MOLECULAR FORMULA: C8H16BrF
MOLECULAR WEIGHT: 211.115043
SMILES: C(CCCCBr)CCCF
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Product OPENEYE NAME: 1-chloro-8-fluoro-octane
CAS Name: 1-chloro-8-fluorooctane
IUPAC NAME: 1-chloro-8-fluorooctane
SYSTEMATIC NAME: 1-chloranyl-8-fluoranyl-octane
MOLECULAR FORMULA: C8H16ClF
MOLECULAR WEIGHT: 166.664043
SMILES: C(CCCCCl)CCCF
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