Product OPENEYE NAME: non-1-yne
CAS Name: 1-nonyne
IUPAC NAME: non-1-yne
SYSTEMATIC NAME: non-1-yne
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CCCCCCCC#C
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Product OPENEYE NAME: 3,5,5-trimethylhexan-1-ol
CAS Name: 3,5,5-trimethyl-1-hexanol
IUPAC NAME: 3,5,5-trimethylhexan-1-ol
SYSTEMATIC NAME: 3,5,5-trimethylhexan-1-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CC(CCO)CC(C)(C)C
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Product OPENEYE NAME: 3-methyl-3H-isobenzofuran-1-one
CAS Name: 3-methyl-3H-isobenzofuran-1-one
IUPAC NAME: 3-methyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-methyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: CC1C2=CC=CC=C2C(=O)O1
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Product OPENEYE NAME: 1-ethyl-4-vinyl-benzene
CAS Name: 1-ethenyl-4-ethylbenzene
IUPAC NAME: 1-ethenyl-4-ethylbenzene
SYSTEMATIC NAME: 1-ethenyl-4-ethyl-benzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CCC1=CC=C(C=C1)C=C
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Product OPENEYE NAME: 7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione
CAS Name: 7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione
IUPAC NAME: 7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione
SYSTEMATIC NAME: 7-chloranyl-1-methyl-4,1-benzoxazepine-2,5-dione
MOLECULAR FORMULA: C10H8ClNO3
MOLECULAR WEIGHT: 225.62842
SMILES: CN1C(=O)COC(=O)C2=C1C=CC(=C2)Cl
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Product OPENEYE NAME: 4-(5-nitro-2-furyl)but-3-en-2-one
CAS Name: 4-(5-nitro-2-furanyl)-3-buten-2-one
IUPAC NAME: 4-(5-nitrofuran-2-yl)but-3-en-2-one
SYSTEMATIC NAME: 4-(5-nitrofuran-2-yl)but-3-en-2-one
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC(=O)C=CC1=CC=C(O1)[N+](=O)[O-]
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Product OPENEYE NAME: [[1-methyl-3-(5-nitro-2-furyl)prop-2-enylidene]amino]urea
CAS Name: [4-(5-nitro-2-furanyl)but-3-en-2-ylideneamino]urea
IUPAC NAME: [4-(5-nitrofuran-2-yl)but-3-en-2-ylideneamino]urea
SYSTEMATIC NAME: 1-[4-(5-nitrofuran-2-yl)but-3-en-2-ylideneamino]urea
MOLECULAR FORMULA: C9H10N4O4
MOLECULAR WEIGHT: 238.2001
SMILES: CC(=NNC(=O)N)C=CC1=CC=C(O1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(5-fluoro-2-nitro-phenyl)acetonitrile
CAS Name: 2-(5-fluoro-2-nitrophenyl)acetonitrile
IUPAC NAME: 2-(5-fluoro-2-nitrophenyl)acetonitrile
SYSTEMATIC NAME: 2-(5-fluoranyl-2-nitro-phenyl)ethanenitrile
MOLECULAR FORMULA: C8H5FN2O2
MOLECULAR WEIGHT: 180.135903
SMILES: C1=CC(=C(C=C1F)CC#N)[N+](=O)[O-]
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Product OPENEYE NAME: 1,2-bis(4-chlorophenyl)ethane-1,2-dione
CAS Name: 1,2-bis(4-chlorophenyl)ethane-1,2-dione
IUPAC NAME: 1,2-bis(4-chlorophenyl)ethane-1,2-dione
SYSTEMATIC NAME: 1,2-bis(4-chlorophenyl)ethane-1,2-dione
MOLECULAR FORMULA: C14H8Cl2O2
MOLECULAR WEIGHT: 279.11812
SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (4-phenylazophenyl)ammonium chloride
CAS Name: (4-phenyldiazenylphenyl)ammonium chloride
IUPAC NAME: (4-phenyldiazenylphenyl)azanium chloride
SYSTEMATIC NAME: (4-phenyldiazenylphenyl)azanium chloride
MOLECULAR FORMULA: C12H12ClN3
MOLECULAR WEIGHT: 233.69678
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[NH3+].[Cl-]
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Product OPENEYE NAME: bis(3-methylsulfonyloxypropyl)ammonium chloride
CAS Name: bis(3-methylsulfonyloxypropyl)ammonium chloride
IUPAC NAME: bis(3-methylsulfonyloxypropyl)azanium chloride
SYSTEMATIC NAME: bis(3-methylsulfonyloxypropyl)azanium chloride
MOLECULAR FORMULA: C8H20ClNO6S2
MOLECULAR WEIGHT: 325.8305
SMILES: CS(=O)(=O)OCCC[NH2+]CCCOS(=O)(=O)C.[Cl-]
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Product OPENEYE NAME: 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
CAS Name: methanesulfonic acid 3-(3-methylsulfonyloxypropylamino)propyl ester
IUPAC NAME: 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
SYSTEMATIC NAME: 3-(3-methylsulfonyloxypropylamino)propyl methanesulfonate
MOLECULAR FORMULA: C8H19NO6S2
MOLECULAR WEIGHT: 289.36956
SMILES: CS(=O)(=O)OCCCNCCCOS(=O)(=O)C
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Product OPENEYE NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
CAS Name: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
IUPAC NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
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Product OPENEYE NAME: [(N'-benzylcarbamimidoyl)amino]ammonium iodide
CAS Name: [[amino-(phenylmethyl)iminomethyl]amino]ammonium iodide
IUPAC NAME: [(N'-benzylcarbamimidoyl)amino]azanium iodide
SYSTEMATIC NAME: [[N'-(phenylmethyl)carbamimidoyl]amino]azanium iodide
MOLECULAR FORMULA: C8H13IN4
MOLECULAR WEIGHT: 292.12009
SMILES: C1=CC=C(C=C1)CN=C(N)N[NH3+].[I-]
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Product OPENEYE NAME: 1-amino-2-benzyl-guanidine
CAS Name: 1-amino-2-(phenylmethyl)guanidine
IUPAC NAME: 1-amino-2-benzylguanidine
SYSTEMATIC NAME: 1-azanyl-2-(phenylmethyl)guanidine
MOLECULAR FORMULA: C8H12N4
MOLECULAR WEIGHT: 164.20768
SMILES: C1=CC=C(C=C1)CN=C(N)NN
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Product OPENEYE NAME: triammonium citrate
CAS Name: triammonium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: triazanium 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: triazanium 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H17N3O7
MOLECULAR WEIGHT: 243.21508
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+]
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Product OPENEYE NAME: tetralin-1-ylammonium chloride
CAS Name: 1,2,3,4-tetrahydronaphthalen-1-ylammonium chloride
IUPAC NAME: 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride
SYSTEMATIC NAME: 1,2,3,4-tetrahydronaphthalen-1-ylazanium chloride
MOLECULAR FORMULA: C10H14ClN
MOLECULAR WEIGHT: 183.67786
SMILES: C1CC(C2=CC=CC=C2C1)[NH3+].[Cl-]
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Product OPENEYE NAME: 3-(2-methoxyethoxy)-N-pyrimidin-2-yl-benzenesulfonamide
CAS Name: 3-(2-methoxyethoxy)-N-(2-pyrimidinyl)benzenesulfonamide
IUPAC NAME: 3-(2-methoxyethoxy)-N-pyrimidin-2-ylbenzenesulfonamide
SYSTEMATIC NAME: 3-(2-methoxyethoxy)-N-pyrimidin-2-yl-benzenesulfonamide
MOLECULAR FORMULA: C13H15N3O4S
MOLECULAR WEIGHT: 309.3409
SMILES: COCCOC1=CC(=CC=C1)S(=O)(=O)NC2=NC=CC=N2
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Product OPENEYE NAME: 4-(1,3-dioxoisoindolin-2-yl)butanamide
CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanamide
IUPAC NAME: 4-(1,3-dioxoisoindol-2-yl)butanamide
SYSTEMATIC NAME: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanamide
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N
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