CAS RN: 68165-37-7
CAS Name: 4-ethyl-2,2,5-trimethyl-4-hexen-3-one
OPENEYE Name: 4-ethyl-2,2,5-trimethyl-hex-4-en-3-one
IUPAC Name: 4-ethyl-2,2,5-trimethylhex-4-en-3-one
SYSTEMATIC NAME: 4-ethyl-2,2,5-trimethyl-hex-4-en-3-one
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCC(=C(C)C)C(=O)C(C)(C)C
Structure:
CAS RN: 68165-06-0
CAS Name: 1-methyl-3-pyrrolidinone
OPENEYE Name: 1-methylpyrrolidin-3-one
IUPAC Name: 1-methylpyrrolidin-3-one
SYSTEMATIC NAME: 1-methylpyrrolidin-3-one
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CN1CCC(=O)C1
Structure:
CAS RN: 68162-09-4
CAS Name: 4-decoxybenzoic acid (4-hexoxyphenyl) ester
OPENEYE Name: (4-hexoxyphenyl) 4-decoxybenzoate
IUPAC Name: (4-hexoxyphenyl) 4-decoxybenzoate
SYSTEMATIC NAME: (4-hexoxyphenyl) 4-decoxybenzoate
MOLECULAR FORMULA: C29H42O4
MOLECULAR WEIGHT: 454.64138
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCC
Structure:
CAS RN: 68120-86-5
CAS Name: 1-dimethylphosphoryl-3-methylbuta-1,2-diene
OPENEYE Name: 1-dimethylphosphoryl-3-methyl-buta-1,2-diene
IUPAC Name: 1-dimethylphosphoryl-3-methylbuta-1,2-diene
SYSTEMATIC NAME: 1-dimethylphosphoryl-3-methyl-buta-1,2-diene
MOLECULAR FORMULA: C7H13OP
MOLECULAR WEIGHT: 144.151281
SMILES: CC(=C=CP(=O)(C)C)C
Structure:
CAS RN: 68109-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1C2C3C=CC4C2C=CC15C3C54
Structure:
CAS RN: 68058-56-0
CAS Name: 1,1-diethoxy-1-(ethylthio)-2,2,2-trifluoroethane
OPENEYE Name: 1,1-diethoxy-1-ethylsulfanyl-2,2,2-trifluoro-ethane
IUPAC Name: 1,1-diethoxy-1-ethylsulfanyl-2,2,2-trifluoroethane
SYSTEMATIC NAME: 1,1-diethoxy-1-ethylsulfanyl-2,2,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C8H15F3O2S
MOLECULAR WEIGHT: 232.26371
SMILES: CCOC(C(F)(F)F)(OCC)SCC
Structure:
CAS RN: 68058-53-7
CAS Name: 1,1-diethoxy-1-(ethylthio)ethane
OPENEYE Name: 1,1-diethoxy-1-ethylsulfanyl-ethane
IUPAC Name: 1,1-diethoxy-1-ethylsulfanylethane
SYSTEMATIC NAME: 1,1-diethoxy-1-ethylsulfanyl-ethane
MOLECULAR FORMULA: C8H18O2S
MOLECULAR WEIGHT: 178.29232
SMILES: CCOC(C)(OCC)SCC
Structure:
CAS RN: 68027-80-5
CAS Name: phenyl(4-pyrimidinyl)methanone
OPENEYE Name: phenyl(pyrimidin-4-yl)methanone
IUPAC Name: phenyl(pyrimidin-4-yl)methanone
SYSTEMATIC NAME: phenyl(pyrimidin-4-yl)methanone
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC=C(C=C1)C(=O)C2=NC=NC=C2
Structure:
CAS RN: 68017-33-4
CAS Name: 5-methyl-2-hex-5-en-3-ynol
OPENEYE Name: 5-methylhex-5-en-3-yn-2-ol
IUPAC Name: 5-methylhex-5-en-3-yn-2-ol
SYSTEMATIC NAME: 5-methylhex-5-en-3-yn-2-ol
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC(C#CC(=C)C)O
Structure:
CAS RN: 68003-68-9
CAS Name: N-(2-methylprop-1-enyl)-1-phenylmethanimine
OPENEYE Name: N-(2-methylprop-1-enyl)-1-phenyl-methanimine
IUPAC Name: N-(2-methylprop-1-enyl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(2-methylprop-1-enyl)-1-phenyl-methanimine
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC(=CN=CC1=CC=CC=C1)C
Structure:
CAS RN: 68003-55-4
CAS Name: 1-phenyl-N-prop-2-enylmethanimine
OPENEYE Name: N-allyl-1-phenyl-methanimine
IUPAC Name: 1-phenyl-N-prop-2-enylmethanimine
SYSTEMATIC NAME: 1-phenyl-N-prop-2-enyl-methanimine
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C=CCN=CC1=CC=CC=C1
Structure:
CAS RN: 68003-54-3
CAS Name: 2,2-dimethyl-N-prop-2-enyl-1-propanimine
OPENEYE Name: N-allyl-2,2-dimethyl-propan-1-imine
IUPAC Name: 2,2-dimethyl-N-prop-2-enylpropan-1-imine
SYSTEMATIC NAME: 2,2-dimethyl-N-prop-2-enyl-propan-1-imine
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: CC(C)(C)C=NCC=C
Structure:
CAS RN: 67938-78-7
CAS Name: chromium(4+); diethylazanide
OPENEYE Name: chromium(4+); diethylazanide
IUPAC Name: chromium(4+); diethylazanide
SYSTEMATIC NAME: chromium(4+); diethylazanide
MOLECULAR FORMULA: C16H40CrN4
MOLECULAR WEIGHT: 340.5117
SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Cr+4]
Structure:
CAS RN: 67843-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1CC2CC1C3C2C(=O)C3=O
Structure:
CAS RN: 67843-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1CC2CC1C3C2C(=O)C3=O
Structure:
CAS RN: 67832-11-5
CAS Name: 4-bromo-2-methylbenzonitrile
OPENEYE Name: 4-bromo-2-methyl-benzonitrile
IUPAC Name: 4-bromo-2-methylbenzonitrile
SYSTEMATIC NAME: 4-bromanyl-2-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6BrN
MOLECULAR WEIGHT: 196.04394
SMILES: CC1=C(C=CC(=C1)Br)C#N
Structure:
CAS RN: 67829-74-7
CAS Name: 3-(4-chlorophenoxy)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-chlorophenoxy)propanoate
IUPAC Name: ethyl 3-(4-chlorophenoxy)propanoate
SYSTEMATIC NAME: ethyl 3-(4-chloranylphenoxy)propanoate
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CCOC(=O)CCOC1=CC=C(C=C1)Cl
Structure:
CAS RN: 67792-55-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1C2C=CC1C3C2C(=O)C3=O
Structure:
CAS RN: 67843-63-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1C2C=CC1C3C2C(=O)C3=O
Structure:
CAS RN: 67760-91-2
CAS Name: 2,5-dimethyl-5-hexen-3-ol
OPENEYE Name: 2,5-dimethylhex-5-en-3-ol
IUPAC Name: 2,5-dimethylhex-5-en-3-ol
SYSTEMATIC NAME: 2,5-dimethylhex-5-en-3-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C)C(CC(=C)C)O
Structure:
CAS RN: 67760-89-8
CAS Name: 5-methyl-5-hexen-3-ol
OPENEYE Name: 5-methylhex-5-en-3-ol
IUPAC Name: 5-methylhex-5-en-3-ol
SYSTEMATIC NAME: 5-methylhex-5-en-3-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(CC(=C)C)O
Structure:
CAS RN: 89794-39-8
CAS Name: 5-methyl-5-hexen-3-ol
OPENEYE Name: 5-methylhex-5-en-3-ol
IUPAC Name: 5-methylhex-5-en-3-ol
SYSTEMATIC NAME: 5-methylhex-5-en-3-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(CC(=C)C)O
Structure:
CAS RN: 67707-85-1
CAS Name: 1,4,8-trimethyl-1,4,8,11-tetrazacyclotetradecane
OPENEYE Name: 1,4,8-trimethyl-1,4,8,11-tetrazacyclotetradecane
IUPAC Name: 1,4,8-trimethyl-1,4,8,11-tetrazacyclotetradecane
SYSTEMATIC NAME: 1,4,8-trimethyl-1,4,8,11-tetrazacyclotetradecane
MOLECULAR FORMULA: C13H30N4
MOLECULAR WEIGHT: 242.4041
SMILES: CN1CCCNCCN(CCCN(CC1)C)C
Structure:
CAS RN: 67698-68-4
CAS Name: (4-octoxyphenyl)methanol
OPENEYE Name: (4-octoxyphenyl)methanol
IUPAC Name: (4-octoxyphenyl)methanol
SYSTEMATIC NAME: (4-octoxyphenyl)methanol
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CCCCCCCCOC1=CC=C(C=C1)CO
Structure:
CAS RN: 67618-28-4
CAS Name: N-methyl-9-methylimino-1-phenalenamine
OPENEYE Name: N-methyl-9-methylimino-phenalen-1-amine
IUPAC Name: N-methyl-9-methyliminophenalen-1-amine
SYSTEMATIC NAME: N-methyl-9-methylimino-phenalen-1-amine
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CNC1=C2C(=NC)C=CC3=CC=CC(=C32)C=C1
Structure:
CAS RN: 67618-27-3
CAS Name: 9-imino-1-phenalenamine
OPENEYE Name: 9-iminophenalen-1-amine
IUPAC Name: 9-iminophenalen-1-amine
SYSTEMATIC NAME: 9-azanylidenephenalen-1-amine
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC2=C3C(=C1)C=CC(=N)C3=C(C=C2)N
Structure:
CAS RN: 67605-02-1
CAS Name: 1-methyl-4-(1-methylethenylsulfonyl)benzene
OPENEYE Name: 1-isopropenylsulfonyl-4-methyl-benzene
IUPAC Name: 1-methyl-4-prop-1-en-2-ylsulfonylbenzene
SYSTEMATIC NAME: 1-methyl-4-prop-1-en-2-ylsulfonyl-benzene
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=C)C
Structure:
CAS RN: 67515-61-1
CAS Name: [4-fluoro-3-(trifluoromethyl)phenyl]methanol
OPENEYE Name: [4-fluoro-3-(trifluoromethyl)phenyl]methanol
IUPAC Name: [4-fluoro-3-(trifluoromethyl)phenyl]methanol
SYSTEMATIC NAME: [4-fluoranyl-3-(trifluoromethyl)phenyl]methanol
MOLECULAR FORMULA: C8H6F4O
MOLECULAR WEIGHT: 194.126253
SMILES: C1=CC(=C(C=C1CO)C(F)(F)F)F
Structure:
CAS RN: 67515-59-7
CAS Name: 4-fluoro-3-(trifluoromethyl)benzonitrile
OPENEYE Name: 4-fluoro-3-(trifluoromethyl)benzonitrile
IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-fluoranyl-3-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C8H3F4N
MOLECULAR WEIGHT: 189.109733
SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)F
Structure:
CAS RN: 67515-57-5
CAS Name: 4-fluoro-3-(trifluoromethyl)benzamide
OPENEYE Name: 4-fluoro-3-(trifluoromethyl)benzamide
IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: 4-fluoranyl-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C8H5F4NO
MOLECULAR WEIGHT: 207.125013
SMILES: C1=CC(=C(C=C1C(=O)N)C(F)(F)F)F
Structure:
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