CAS RN: 67515-56-4
CAS Name: 4-fluoro-3-(trifluoromethyl)benzoyl chloride
OPENEYE Name: 4-fluoro-3-(trifluoromethyl)benzoyl chloride
IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzoyl chloride
SYSTEMATIC NAME: 4-fluoranyl-3-(trifluoromethyl)benzoyl chloride
MOLECULAR FORMULA: C8H3ClF4O
MOLECULAR WEIGHT: 226.555433
SMILES: C1=CC(=C(C=C1C(=O)Cl)C(F)(F)F)F
Structure:
CAS RN: 67497-82-9
CAS Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
OPENEYE Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
IUPAC Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
SYSTEMATIC NAME: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC12CCCCC1(C=CCC2)O
Structure:
CAS RN: 68211-44-9
CAS Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
OPENEYE Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
IUPAC Name: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
SYSTEMATIC NAME: 8a-methyl-1,2,3,4,7,8-hexahydronaphthalen-4a-ol
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC12CCCCC1(C=CCC2)O
Structure:
CAS RN: 67487-86-9
CAS Name: 7-methylspiro[2.4]hepta-4,6-diene
OPENEYE Name: 7-methylspiro[2.4]hepta-4,6-diene
IUPAC Name: 7-methylspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 7-methylspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1=CC=CC12CC2
Structure:
CAS RN: 67487-35-8
CAS Name: 2,5-dichlorobenzohydrazide
OPENEYE Name: 2,5-dichlorobenzohydrazide
IUPAC Name: 2,5-dichlorobenzohydrazide
SYSTEMATIC NAME: 2,5-bis(chloranyl)benzohydrazide
MOLECULAR FORMULA: C7H6Cl2N2O
MOLECULAR WEIGHT: 205.04134
SMILES: C1=CC(=C(C=C1Cl)C(=O)NN)Cl
Structure:
CAS RN: 67428-03-9
CAS Name: nitrous acid (2,2-dideuterio-2-phenylethyl) ester
OPENEYE Name: (2,2-dideuterio-2-phenyl-ethyl) nitrite
IUPAC Name: (2,2-dideuterio-2-phenylethyl) nitrite
SYSTEMATIC NAME: (2,2-dideuterio-2-phenyl-ethyl) nitrite
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 153.174884
SMILES: [2H]C([2H])(CON=O)C1=CC=CC=C1
Structure:
CAS RN: 67428-02-8
CAS Name: nitrous acid but-3-enyl ester
OPENEYE Name: but-3-enyl nitrite
IUPAC Name: but-3-enyl nitrite
SYSTEMATIC NAME: but-3-enyl nitrite
MOLECULAR FORMULA: C4H7NO2
MOLECULAR WEIGHT: 101.10388
SMILES: C=CCCON=O
Structure:
CAS RN: 67401-91-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: COC1C2CCC1C3C2C4CC3C=C4
Structure:
CAS RN: 67425-33-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: COC1C2CCC1C3C2C4CC3C=C4
Structure:
CAS RN: 67398-96-3
CAS Name: 3-methoxy-N,N-dimethyl-2-bicyclo[2.2.1]heptanamine
OPENEYE Name: 3-methoxy-N,N-dimethyl-norbornan-2-amine
IUPAC Name: 3-methoxy-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
SYSTEMATIC NAME: 3-methoxy-N,N-dimethyl-bicyclo[2.2.1]heptan-2-amine
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CN(C)C1C2CCC(C2)C1OC
Structure:
CAS RN: 67425-06-3
CAS Name: 3-methoxy-N,N-dimethyl-2-bicyclo[2.2.1]heptanamine
OPENEYE Name: 3-methoxy-N,N-dimethyl-norbornan-2-amine
IUPAC Name: 3-methoxy-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
SYSTEMATIC NAME: 3-methoxy-N,N-dimethyl-bicyclo[2.2.1]heptan-2-amine
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CN(C)C1C2CCC(C2)C1OC
Structure:
CAS RN: 67395-53-3
CAS Name: N-[dimethylamino-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)boranyl]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]amino]boranyl]-N-methyl-methanamine
IUPAC Name: N-[dimethylamino-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)boranyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[dimethylamino-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ylideneamino]boranyl]-N-methyl-methanamine
MOLECULAR FORMULA: C7H12BF6N3
MOLECULAR WEIGHT: 262.991699
SMILES: B(N=C(C(F)(F)F)C(F)(F)F)(N(C)C)N(C)C
Structure:
CAS RN: 67374-76-9
CAS Name: trifluoro(sulfanylidene)molybdenum
OPENEYE Name: trifluoro(thioxo)molybdenum
IUPAC Name: trifluoro(sulfanylidene)molybdenum
SYSTEMATIC NAME: tris(fluoranyl)-sulfanylidene-molybdenum
MOLECULAR FORMULA: F3MoS
MOLECULAR WEIGHT: 185.00021
SMILES: F[Mo](=S)(F)F
Structure:
CAS RN: 67373-56-2
CAS Name: chloro-(2,3-dimethylbutan-2-yl)-dimethylsilane
OPENEYE Name: chloro-dimethyl-(1,1,2-trimethylpropyl)silane
IUPAC Name: chloro-(2,3-dimethylbutan-2-yl)-dimethylsilane
SYSTEMATIC NAME: chloranyl-(2,3-dimethylbutan-2-yl)-dimethyl-silane
MOLECULAR FORMULA: C8H19ClSi
MOLECULAR WEIGHT: 178.77496
SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
Structure:
CAS RN: 67363-89-7
CAS Name: 4-[(4-nonoxyphenyl)iminomethyl]benzonitrile
OPENEYE Name: 4-[(4-nonoxyphenyl)iminomethyl]benzonitrile
IUPAC Name: 4-[(4-nonoxyphenyl)iminomethyl]benzonitrile
SYSTEMATIC NAME: 4-[(4-nonoxyphenyl)iminomethyl]benzenecarbonitrile
MOLECULAR FORMULA: C23H28N2O
MOLECULAR WEIGHT: 348.48122
SMILES: CCCCCCCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
Structure:
CAS RN: 67336-18-9
CAS Name: 2,4,6-tribromo-2,4,6-trifluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
OPENEYE Name: 2,4,6-tribromo-2,4,6-trifluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
IUPAC Name: 2,4,6-tribromo-2,4,6-trifluoro-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
SYSTEMATIC NAME: 2,4,6-tris(bromanyl)-2,4,6-tris(fluoranyl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
MOLECULAR FORMULA: Br3F3N3P3
MOLECULAR WEIGHT: 431.648593
SMILES: N1=P(N=P(N=P1(F)Br)(F)Br)(F)Br
Structure:
CAS RN: 67330-61-4
CAS Name: 2,6-diethyl-3-methylaniline
OPENEYE Name: 2,6-diethyl-3-methyl-aniline
IUPAC Name: 2,6-diethyl-3-methylaniline
SYSTEMATIC NAME: 2,6-diethyl-3-methyl-aniline
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CCC1=C(C(=C(C=C1)C)CC)N
Structure:
CAS RN: 67330-54-5
CAS Name: 1-ethyl-2-isothiocyanato-3-propan-2-ylbenzene
OPENEYE Name: 1-ethyl-3-isopropyl-2-isothiocyanato-benzene
IUPAC Name: 1-ethyl-2-isothiocyanato-3-propan-2-ylbenzene
SYSTEMATIC NAME: 1-ethyl-2-isothiocyanato-3-propan-2-yl-benzene
MOLECULAR FORMULA: C12H15NS
MOLECULAR WEIGHT: 205.3192
SMILES: CCC1=C(C(=CC=C1)C(C)C)N=C=S
Structure:
CAS RN: 67318-95-0
CAS Name: 1-methyl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-b]pyridazine
OPENEYE Name: 1-methyl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-b]pyridazine
IUPAC Name: 1-methyl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-b]pyridazine
SYSTEMATIC NAME: 1-methyl-2,3,4,4a,5,6,7,8-octahydropyrido[1,2-b]pyridazine
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: CN1CCCC2N1CCCC2
Structure:
CAS RN: 67313-66-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12
MOLECULAR WEIGHT: 144.21298
SMILES: C1C=CC=CC23C1(C2)CC=C3
Structure:
CAS RN: 67294-81-9
CAS Name: tris(methylsulfonyl)methane
OPENEYE Name: tris(methylsulfonyl)methane
IUPAC Name: tris(methylsulfonyl)methane
SYSTEMATIC NAME: tris(methylsulfonyl)methane
MOLECULAR FORMULA: C4H10O6S3
MOLECULAR WEIGHT: 250.3136
SMILES: CS(=O)(=O)C(S(=O)(=O)C)S(=O)(=O)C
Structure:
CAS RN: 67291-83-2
CAS Name: 4,4-dimethyl-2-heptyne
OPENEYE Name: 4,4-dimethylhept-2-yne
IUPAC Name: 4,4-dimethylhept-2-yne
SYSTEMATIC NAME: 4,4-dimethylhept-2-yne
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CCCC(C)(C)C#CC
Structure:
CAS RN: 67282-66-0
CAS Name: bis(9-azabicyclo[3.3.1]nonan-9-yl)diazene
OPENEYE Name: bis(9-azabicyclo[3.3.1]nonan-9-yl)diazene
IUPAC Name: bis(9-azabicyclo[3.3.1]nonan-9-yl)diazene
SYSTEMATIC NAME: bis(9-azabicyclo[3.3.1]nonan-9-yl)diazene
MOLECULAR FORMULA: C16H28N4
MOLECULAR WEIGHT: 276.42032
SMILES: C1CC2CCCC(C1)N2N=NN3C4CCCC3CCC4
Structure:
CAS RN: 67282-24-0
CAS Name: 5-chloro-5-methylnonane
OPENEYE Name: 5-chloro-5-methyl-nonane
IUPAC Name: 5-chloro-5-methylnonane
SYSTEMATIC NAME: 5-chloranyl-5-methyl-nonane
MOLECULAR FORMULA: C10H21Cl
MOLECULAR WEIGHT: 176.72674
SMILES: CCCCC(C)(CCCC)Cl
Structure:
CAS RN: 67281-48-5
CAS Name: ethaneselenal
OPENEYE Name: ethaneselenal
IUPAC Name: ethaneselenal
SYSTEMATIC NAME: ethaneselenal
MOLECULAR FORMULA: C2H4Se
MOLECULAR WEIGHT: 107.01316
SMILES: CC=[Se]
Structure:
CAS RN: 67280-25-5
CAS Name: cyclohepta-4,6-diene-1,2,3-trione
OPENEYE Name: cyclohepta-4,6-diene-1,2,3-trione
IUPAC Name: cyclohepta-4,6-diene-1,2,3-trione
SYSTEMATIC NAME: cyclohepta-4,6-diene-1,2,3-trione
MOLECULAR FORMULA: C7H4O3
MOLECULAR WEIGHT: 136.10486
SMILES: C1=CC(=O)C(=O)C(=O)C=C1
Structure:
CAS RN: 67254-49-3
CAS Name: 5-methylenebicyclo[2.2.0]hex-2-ene
OPENEYE Name: 5-methylenebicyclo[2.2.0]hex-2-ene
IUPAC Name: 5-methylidenebicyclo[2.2.0]hex-2-ene
SYSTEMATIC NAME: 5-methylidenebicyclo[2.2.0]hex-2-ene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C=C1CC2C1C=C2
Structure:
CAS RN: 67242-61-9
CAS Name: 1,2,3,4-tetrahydrocarbazole-9-carboxamide
OPENEYE Name: 1,2,3,4-tetrahydrocarbazole-9-carboxamide
IUPAC Name: 1,2,3,4-tetrahydrocarbazole-9-carboxamide
SYSTEMATIC NAME: 1,2,3,4-tetrahydrocarbazole-9-carboxamide
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)N
Structure:
CAS RN: 67192-42-1
CAS Name: 2-methyl-1-nitro-4-(trifluoromethyl)benzene
OPENEYE Name: 2-methyl-1-nitro-4-(trifluoromethyl)benzene
IUPAC Name: 2-methyl-1-nitro-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-methyl-1-nitro-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6F3NO2
MOLECULAR WEIGHT: 205.13395
SMILES: CC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 67144-64-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14N2
MOLECULAR WEIGHT: 150.22086
SMILES: CN1C2CC(N1C)C3C2C=C3
Structure:
CAS RN: 67144-63-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H16N2
MOLECULAR WEIGHT: 152.23674
SMILES: CN1C2C3CCC(C3)C2N1C
Structure:
CAS RN: 67139-56-4
CAS Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
OPENEYE Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SYSTEMATIC NAME: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
MOLECULAR FORMULA: C11H22N2
MOLECULAR WEIGHT: 182.30578
SMILES: CCCNC1CC2CCC(C1)N2C
Structure:
CAS RN: 67216-34-6
CAS Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
OPENEYE Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC Name: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SYSTEMATIC NAME: 8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
MOLECULAR FORMULA: C11H22N2
MOLECULAR WEIGHT: 182.30578
SMILES: CCCNC1CC2CCC(C1)N2C
Structure:
CAS RN: 67139-52-0
CAS Name: N-methylcarbamic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CNC(=O)OC1CC2CCC(C1)N2C
Structure:
CAS RN: 67139-53-1
CAS Name: N-methylcarbamic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) N-methylcarbamate
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CNC(=O)OC1CC2CCC(C1)N2C
Structure:
CAS RN: 67137-81-9
CAS Name: 2-tert-butylisoxazolidine
OPENEYE Name: 2-tert-butylisoxazolidine
IUPAC Name: 2-tert-butyl-1,2-oxazolidine
SYSTEMATIC NAME: 2-tert-butyl-1,2-oxazolidine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CC(C)(C)N1CCCO1
Structure:
CAS RN: 67135-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H18P4Si3
MOLECULAR WEIGHT: 298.358664
SMILES: C[Si]1(P2[Si](P3P1P3[Si]2(C)C)(C)C)C
Structure:
CAS RN: 67109-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: C1CC2C1C3CC2C4=CC=CC=C34
Structure:
CAS RN: 67145-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: C1CC2C1C3CC2C4=CC=CC=C34
Structure:
CAS RN: 67105-55-9
CAS Name: spiro[2,3-dioxabicyclo[2.2.1]heptane-7,1'-cyclopropane]
OPENEYE Name: spiro[2,3-dioxabicyclo[2.2.1]heptane-7,1'-cyclopropane]
IUPAC Name: spiro[2,3-dioxabicyclo[2.2.1]heptane-7,1'-cyclopropane]
SYSTEMATIC NAME: spiro[2,3-dioxabicyclo[2.2.1]heptane-7,1'-cyclopropane]
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: C1CC2C3(C1OO2)CC3
Structure:
CAS RN: 67092-91-5
CAS Name: 1-(1-azetidinyl)azetidine
OPENEYE Name: 1-(azetidin-1-yl)azetidine
IUPAC Name: 1-(azetidin-1-yl)azetidine
SYSTEMATIC NAME: 1-(azetidin-1-yl)azetidine
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: C1CN(C1)N2CCC2
Structure:
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