CAS RN: 84449-09-2
CAS Name: 3,4-ditert-butyldithiete
OPENEYE Name: 3,4-ditert-butyldithiete
IUPAC Name: 3,4-ditert-butyldithiete
SYSTEMATIC NAME: 3,4-ditert-butyl-1,2-dithiete
MOLECULAR FORMULA: C10H18S2
MOLECULAR WEIGHT: 202.37992
SMILES: CC(C)(C)C1=C(SS1)C(C)(C)C
Structure:
CAS RN: 84396-62-3
CAS Name: 4-(1-adamantyl)-1H-pyrazole
OPENEYE Name: 4-(1-adamantyl)-1H-pyrazole
IUPAC Name: 4-(1-adamantyl)-1H-pyrazole
SYSTEMATIC NAME: 4-(1-adamantyl)-1H-pyrazole
MOLECULAR FORMULA: C13H18N2
MOLECULAR WEIGHT: 202.29542
SMILES: C1C2CC3CC1CC(C2)(C3)C4=CNN=C4
Structure:
CAS RN: 84381-54-4
CAS Name: N,N-diethyl-4-isothiocyanatoaniline
OPENEYE Name: N,N-diethyl-4-isothiocyanato-aniline
IUPAC Name: N,N-diethyl-4-isothiocyanatoaniline
SYSTEMATIC NAME: N,N-diethyl-4-isothiocyanato-aniline
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CCN(CC)C1=CC=C(C=C1)N=C=S
Structure:
CAS RN: 84348-86-7
CAS Name: 1,2,3,5-tetrafluoro-4-isothiocyanatobenzene
OPENEYE Name: 1,2,3,5-tetrafluoro-4-isothiocyanato-benzene
IUPAC Name: 1,2,3,5-tetrafluoro-4-isothiocyanatobenzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(fluoranyl)-4-isothiocyanato-benzene
MOLECULAR FORMULA: C7HF4NS
MOLECULAR WEIGHT: 207.148153
SMILES: C1=C(C(=C(C(=C1F)F)F)N=C=S)F
Structure:
CAS RN: 84256-19-9
CAS Name: 1-ethyl-1-cyclobutanol
OPENEYE Name: 1-ethylcyclobutanol
IUPAC Name: 1-ethylcyclobutan-1-ol
SYSTEMATIC NAME: 1-ethylcyclobutan-1-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCC1(CCC1)O
Structure:
CAS RN: 84194-36-5
CAS Name: 2-chloro-4-fluorobenzaldehyde
OPENEYE Name: 2-chloro-4-fluoro-benzaldehyde
IUPAC Name: 2-chloro-4-fluorobenzaldehyde
SYSTEMATIC NAME: 2-chloranyl-4-fluoranyl-benzaldehyde
MOLECULAR FORMULA: C7H4ClFO
MOLECULAR WEIGHT: 158.557463
SMILES: C1=CC(=C(C=C1F)Cl)C=O
Structure:
CAS RN: 83995-89-5
CAS Name: fluoro(sulfanylidene)borane
OPENEYE Name: fluoro(thioxo)borane
IUPAC Name: fluoro(sulfanylidene)borane
SYSTEMATIC NAME: fluoranyl(sulfanylidene)borane
MOLECULAR FORMULA: BFS
MOLECULAR WEIGHT: 61.874403
SMILES: B(=S)F
Structure:
CAS RN: 83947-07-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: C1CS(=O)(=O)C2C1C3CC2C=C3
Structure:
CAS RN: 83944-24-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: C1C2C1C3=CC=C(C=C3)C4CC4C5=CC=C2C=C5
Structure:
CAS RN: 83909-79-9
CAS Name: 2-methyl-3-decanol
OPENEYE Name: 2-methyldecan-3-ol
IUPAC Name: 2-methyldecan-3-ol
SYSTEMATIC NAME: 2-methyldecan-3-ol
MOLECULAR FORMULA: C11H24O
MOLECULAR WEIGHT: 172.30766
SMILES: CCCCCCCC(C(C)C)O
Structure:
CAS RN: 83809-88-5
CAS Name: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
OPENEYE Name: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
IUPAC Name: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SYSTEMATIC NAME: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
MOLECULAR FORMULA: C5H4N6O3
MOLECULAR WEIGHT: 196.12366
SMILES: CC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]
Structure:
CAS RN: 83809-87-4
CAS Name: 3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
OPENEYE Name: 3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
IUPAC Name: 3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SYSTEMATIC NAME: 3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
MOLECULAR FORMULA: C4H2N6O3
MOLECULAR WEIGHT: 182.09708
SMILES: C1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]
Structure:
CAS RN: 83670-21-7
CAS Name: 2,7-ditert-butylthiepin
OPENEYE Name: 2,7-ditert-butylthiepine
IUPAC Name: 2,7-ditert-butylthiepine
SYSTEMATIC NAME: 2,7-ditert-butylthiepine
MOLECULAR FORMULA: C14H22S
MOLECULAR WEIGHT: 222.38948
SMILES: CC(C)(C)C1=CC=CC=C(S1)C(C)(C)C
Structure:
CAS RN: 83615-93-4
CAS Name: 3-ethenyl-4-methylpenta-1,3-diene
OPENEYE Name: 4-methyl-3-vinyl-penta-1,3-diene
IUPAC Name: 3-ethenyl-4-methylpenta-1,3-diene
SYSTEMATIC NAME: 3-ethenyl-4-methyl-penta-1,3-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC(=C(C=C)C=C)C
Structure:
CAS RN: 83527-55-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: As4O5
MOLECULAR WEIGHT: 379.6834
SMILES: O=[As]12O[As]3O[As](O1)[As]3O2
Structure:
CAS RN: 83527-54-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: As4O3
MOLECULAR WEIGHT: 347.6846
SMILES: O1[As]2O[As]3[As]1[As]3O2
Structure:
CAS RN: 83115-11-1
CAS Name: tris(trimethylsilyl)methyl-[tris(trimethylsilyl)methylphosphinylidene]phosphine
OPENEYE Name: tris(trimethylsilyl)methyl-[tris(trimethylsilyl)methylphosphanylidene]phosphane
IUPAC Name: tris(trimethylsilyl)methyl-[tris(trimethylsilyl)methylphosphanylidene]phosphane
SYSTEMATIC NAME: tris(trimethylsilyl)methyl-[tris(trimethylsilyl)methylphosphanylidene]phosphane
MOLECULAR FORMULA: C20H54P2Si6
MOLECULAR WEIGHT: 525.103282
SMILES: C[Si](C)(C)C([Si](C)(C)C)([Si](C)(C)C)P=PC([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Structure:
CAS RN: 83060-75-7
CAS Name: 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylic acid methyl ester
OPENEYE Name: methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
IUPAC Name: methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
SYSTEMATIC NAME: methyl 7-azabicyclo[2.2.1]hepta-2,5-diene-7-carboxylate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: COC(=O)N1C2C=CC1C=C2
Structure:
CAS RN: 82865-42-7
CAS Name: 1,2,3,4-tetrakis(ethenyl)cyclobutane
OPENEYE Name: 1,2,3,4-tetravinylcyclobutane
IUPAC Name: 1,2,3,4-tetrakis(ethenyl)cyclobutane
SYSTEMATIC NAME: 1,2,3,4-tetrakis(ethenyl)cyclobutane
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C=CC1C(C(C1C=C)C=C)C=C
Structure:
CAS RN: 87753-95-5
CAS Name: 1,2,3,4-tetrakis(ethenyl)cyclobutane
OPENEYE Name: 1,2,3,4-tetravinylcyclobutane
IUPAC Name: 1,2,3,4-tetrakis(ethenyl)cyclobutane
SYSTEMATIC NAME: 1,2,3,4-tetrakis(ethenyl)cyclobutane
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C=CC1C(C(C1C=C)C=C)C=C
Structure:
CAS RN: 82834-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C1CC2C(C1)C3=C2CCC3
Structure:
CAS RN: 82830-49-7
CAS Name: 2-fluoro-1,4-dimethoxybenzene
OPENEYE Name: 2-fluoro-1,4-dimethoxy-benzene
IUPAC Name: 2-fluoro-1,4-dimethoxybenzene
SYSTEMATIC NAME: 2-fluoranyl-1,4-dimethoxy-benzene
MOLECULAR FORMULA: C8H9FO2
MOLECULAR WEIGHT: 156.154263
SMILES: COC1=CC(=C(C=C1)OC)F
Structure:
CAS RN: 82823-46-9
CAS Name: spiro[1,3-benzodioxole-2,2'-benzo[f][1,3]benzodioxole]
OPENEYE Name: spiro[1,3-benzodioxole-2,2'-benzo[f][1,3]benzodioxole]
IUPAC Name: spiro[1,3-benzodioxole-2,2'-benzo[f][1,3]benzodioxole]
SYSTEMATIC NAME: spiro[1,3-benzodioxole-2,2'-benzo[f][1,3]benzodioxole]
MOLECULAR FORMULA: C17H10O4
MOLECULAR WEIGHT: 278.2589
SMILES: C1=CC=C2C=C3C(=CC2=C1)OC4(O3)OC5=CC=CC=C5O4
Structure:
CAS RN: 82763-96-0
CAS Name: 1,1,3,4-tetramethylgermole
OPENEYE Name: 1,1,3,4-tetramethylgermole
IUPAC Name: 1,1,3,4-tetramethylgermole
SYSTEMATIC NAME: 1,1,3,4-tetramethylgermole
MOLECULAR FORMULA: C8H14Ge
MOLECULAR WEIGHT: 182.83676
SMILES: CC1=C[Ge](C=C1C)(C)C
Structure:
CAS RN: 82763-95-9
CAS Name: 1,1,3,4-tetramethylsilole
OPENEYE Name: 1,1,3,4-tetramethylsilole
IUPAC Name: 1,1,3,4-tetramethylsilole
SYSTEMATIC NAME: 1,1,3,4-tetramethylsilole
MOLECULAR FORMULA: C8H14Si
MOLECULAR WEIGHT: 138.28226
SMILES: CC1=C[Si](C=C1C)(C)C
Structure:
CAS RN: 82666-10-2
CAS Name: bis(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)diazene
OPENEYE Name: bis(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)diazene
IUPAC Name: bis(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)diazene
SYSTEMATIC NAME: bis(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)diazene
MOLECULAR FORMULA: C18H32N4
MOLECULAR WEIGHT: 304.47348
SMILES: CC1(C2CCC(N1N=NN3C4CCC(C3(C)C)CC4)CC2)C
Structure:
CAS RN: 82666-07-7
CAS Name: 3-(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethyl-3-azabicyclo[2.2.2]octane
OPENEYE Name: 3-(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethyl-3-azabicyclo[2.2.2]octane
IUPAC Name: 3-(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethyl-3-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethyl-3-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C18H32N2
MOLECULAR WEIGHT: 276.46008
SMILES: CC1(C2CCC(N1N3C4CCC(C3(C)C)CC4)CC2)C
Structure:
CAS RN: 82666-06-6
CAS Name: 3-chloro-2,2-dimethyl-3-azabicyclo[2.2.2]octane
OPENEYE Name: 3-chloro-2,2-dimethyl-3-azabicyclo[2.2.2]octane
IUPAC Name: 3-chloro-2,2-dimethyl-3-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-chloranyl-2,2-dimethyl-3-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C9H16ClN
MOLECULAR WEIGHT: 173.68304
SMILES: CC1(C2CCC(N1Cl)CC2)C
Structure:
CAS RN: 82663-50-1
CAS Name: 5,5-dimethyl-3-(pentylamino)-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethyl-3-(pentylamino)cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-3-(pentylamino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-(pentylamino)cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H23NO
MOLECULAR WEIGHT: 209.32782
SMILES: CCCCCNC1=CC(=O)CC(C1)(C)C
Structure:
CAS RN: 82663-49-8
CAS Name: 5,5-dimethyl-3-(2-methylpropylamino)-1-cyclohex-2-enone
OPENEYE Name: 3-(isobutylamino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-3-(2-methylpropylamino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-(2-methylpropylamino)cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CC(C)CNC1=CC(=O)CC(C1)(C)C
Structure:
CAS RN: 82608-90-0
CAS Name: 1-chloro-2-methyl-3-(sulfinylamino)benzene
OPENEYE Name: 1-chloro-2-methyl-3-(sulfinylamino)benzene
IUPAC Name: 1-chloro-2-methyl-3-(sulfinylamino)benzene
SYSTEMATIC NAME: 1-chloranyl-2-methyl-3-(sulfinylamino)benzene
MOLECULAR FORMULA: C7H6ClNOS
MOLECULAR WEIGHT: 187.64664
SMILES: CC1=C(C=CC=C1Cl)N=S=O
Structure:
CAS RN: 82608-88-6
CAS Name: 4-chloro-2-methyl-1-(sulfinylamino)benzene
OPENEYE Name: 4-chloro-2-methyl-1-(sulfinylamino)benzene
IUPAC Name: 4-chloro-2-methyl-1-(sulfinylamino)benzene
SYSTEMATIC NAME: 4-chloranyl-2-methyl-1-(sulfinylamino)benzene
MOLECULAR FORMULA: C7H6ClNOS
MOLECULAR WEIGHT: 187.64664
SMILES: CC1=C(C=CC(=C1)Cl)N=S=O
Structure:
CAS RN: 82505-06-4
CAS Name: 4-tert-butylbenzenecarbothioic acid S-(trideuteriomethyl) ester
OPENEYE Name: S-(trideuteriomethyl) 4-tert-butylbenzenecarbothioate
IUPAC Name: S-(trideuteriomethyl) 4-tert-butylbenzenecarbothioate
SYSTEMATIC NAME: S-(trideuteriomethyl) 4-tert-butylbenzenecarbothioate
MOLECULAR FORMULA: C12H16OS
MOLECULAR WEIGHT: 211.338325
SMILES: [2H]C([2H])([2H])SC(=O)C1=CC=C(C=C1)C(C)(C)C
Structure:
CAS RN: 82476-12-8
CAS Name: 2-(4-chlorophenyl)-5-methoxy-1,3,4-oxadiazole
OPENEYE Name: 2-(4-chlorophenyl)-5-methoxy-1,3,4-oxadiazole
IUPAC Name: 2-(4-chlorophenyl)-5-methoxy-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-methoxy-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H7ClN2O2
MOLECULAR WEIGHT: 210.61708
SMILES: COC1=NN=C(O1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 82458-41-1
CAS Name: 1,3,3-trimethyl-2-propan-2-ylideneindole
OPENEYE Name: 2-isopropylidene-1,3,3-trimethyl-indoline
IUPAC Name: 1,3,3-trimethyl-2-propan-2-ylideneindole
SYSTEMATIC NAME: 1,3,3-trimethyl-2-propan-2-ylidene-indole
MOLECULAR FORMULA: C14H19N
MOLECULAR WEIGHT: 201.30736
SMILES: CC(=C1C(C2=CC=CC=C2N1C)(C)C)C
Structure:
CAS RN: 82407-82-7
CAS Name: 1,8-diazabicyclo[6.3.3]tetradecane
OPENEYE Name: 1,8-diazabicyclo[6.3.3]tetradecane
IUPAC Name: 1,8-diazabicyclo[6.3.3]tetradecane
SYSTEMATIC NAME: 1,8-diazabicyclo[6.3.3]tetradecane
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: C1CCCN2CCCN(CC1)CCC2
Structure:
CAS RN: 82407-81-6
CAS Name: 1,6-diazabicyclo[4.3.2]undecane
OPENEYE Name: 1,6-diazabicyclo[4.3.2]undecane
IUPAC Name: 1,6-diazabicyclo[4.3.2]undecane
SYSTEMATIC NAME: 1,6-diazabicyclo[4.3.2]undecane
MOLECULAR FORMULA: C9H18N2
MOLECULAR WEIGHT: 154.25262
SMILES: C1CCN2CCCN(C1)CC2
Structure:
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