CAS RN: 2031-23-4
CAS Name: 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride
OPENEYE Name: 1-(3-chloropropyl)-4-methyl-piperazine dihydrochloride
IUPAC Name: 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-4-methyl-piperazine dihydrochloride
MOLECULAR FORMULA: C8H19Cl3N2
MOLECULAR WEIGHT: 249.60886
SMILES: CN1CCN(CC1)CCCCl.Cl.Cl
Structure:
CAS RN: 2028-85-5
CAS Name: 4-bromobenzenediazonium chloride
OPENEYE Name: 4-bromobenzenediazonium chloride
IUPAC Name: 4-bromobenzenediazonium chloride
SYSTEMATIC NAME: 4-bromanylbenzenediazonium chloride
MOLECULAR FORMULA: C6H4BrClN2
MOLECULAR WEIGHT: 219.46636
SMILES: C1=CC(=CC=C1[N+]#N)Br.[Cl-]
Structure:
CAS RN: 2013-91-4
CAS Name: dimethylaminomethylidene(dimethyl)ammonium; methyl sulfate
OPENEYE Name: dimethylaminomethylene(dimethyl)ammonium; methyl sulfate
IUPAC Name: dimethylaminomethylidene(dimethyl)azanium; methyl sulfate
SYSTEMATIC NAME: dimethylaminomethylidene(dimethyl)azanium; methyl sulfate
MOLECULAR FORMULA: C6H16N2O4S
MOLECULAR WEIGHT: 212.26724
SMILES: CN(C)C=[N+](C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 1988-10-9
CAS Name: 2,6-di(propan-2-yl)benzene-1,4-diol
OPENEYE Name: 2,6-diisopropylbenzene-1,4-diol
IUPAC Name: 2,6-di(propan-2-yl)benzene-1,4-diol
SYSTEMATIC NAME: 2,6-di(propan-2-yl)benzene-1,4-diol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)O
Structure:
CAS RN: 1972-59-4
CAS Name: (2,3-dihydroxyphenyl)methyl-trimethylammonium iodide
OPENEYE Name: (2,3-dihydroxyphenyl)methyl-trimethyl-ammonium iodide
IUPAC Name: (2,3-dihydroxyphenyl)methyl-trimethylazanium iodide
SYSTEMATIC NAME: [2,3-bis(oxidanyl)phenyl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C10H16INO2
MOLECULAR WEIGHT: 309.14401
SMILES: C[N+](C)(C)CC1=C(C(=CC=C1)O)O.[I-]
Structure:
CAS RN: 1952-15-4
CAS Name: 2,2-diphenylacetic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester iodide
OPENEYE Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide
IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide
SYSTEMATIC NAME: (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate iodide
MOLECULAR FORMULA: C21H26INO2
MOLECULAR WEIGHT: 451.34111
SMILES: C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]
Structure:
CAS RN: 1934-22-1
CAS Name: disodium 5-oxo-4-phenyldiazenyl-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 5-oxo-4-phenylazo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 5-oxo-4-phenyldiazenyl-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 5-oxidanylidene-4-phenyldiazenyl-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C16H10N4Na2O6S
MOLECULAR WEIGHT: 432.31834
SMILES: C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 1919-00-2
CAS Name: 3-methyl-4,5,6,7-tetrahydrobenzofuran
OPENEYE Name: 3-methyl-4,5,6,7-tetrahydrobenzofuran
IUPAC Name: 3-methyl-4,5,6,7-tetrahydro-1-benzofuran
SYSTEMATIC NAME: 3-methyl-4,5,6,7-tetrahydro-1-benzofuran
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC1=COC2=C1CCCC2
Structure:
CAS RN: 1910-35-6
CAS Name: N-methyl-2-(methylthio)-4-phenyldiazenylaniline
OPENEYE Name: N-methyl-2-methylsulfanyl-4-phenylazo-aniline
IUPAC Name: N-methyl-2-methylsulfanyl-4-phenyldiazenylaniline
SYSTEMATIC NAME: N-methyl-2-methylsulfanyl-4-phenyldiazenyl-aniline
MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: CNC1=C(C=C(C=C1)N=NC2=CC=CC=C2)SC
Structure:
CAS RN: 1866-17-7
CAS Name: 2-(acetylthio)propyl-trimethylammonium iodide
OPENEYE Name: 2-acetylsulfanylpropyl(trimethyl)ammonium iodide
IUPAC Name: 2-acetylsulfanylpropyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 2-ethanoylsulfanylpropyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C8H18INOS
MOLECULAR WEIGHT: 303.20409
SMILES: CC(C[N+](C)(C)C)SC(=O)C.[I-]
Structure:
CAS RN: 1847-46-7
CAS Name: lithium 2-aminoethylazanide
OPENEYE Name: lithium 2-aminoethylazanide
IUPAC Name: lithium 2-aminoethylazanide
SYSTEMATIC NAME: lithium 2-azanylethylazanide
MOLECULAR FORMULA: C2H7LiN2
MOLECULAR WEIGHT: 66.03138
SMILES: [Li+].C(C[NH-])N
Structure:
CAS RN: 1845-54-1
CAS Name: 5-methyl-2-(1-methylethenyl)-4-hexenoic acid ethyl ester
OPENEYE Name: ethyl 2-isopropenyl-5-methyl-hex-4-enoate
IUPAC Name: ethyl 5-methyl-2-prop-1-en-2-ylhex-4-enoate
SYSTEMATIC NAME: ethyl 5-methyl-2-prop-1-en-2-yl-hex-4-enoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CCOC(=O)C(CC=C(C)C)C(=C)C
Structure:
CAS RN: 1828-58-6
CAS Name: 3-bromo-4-hydroxy-5-nitrobenzonitrile
OPENEYE Name: 3-bromo-4-hydroxy-5-nitro-benzonitrile
IUPAC Name: 3-bromo-4-hydroxy-5-nitrobenzonitrile
SYSTEMATIC NAME: 3-bromanyl-5-nitro-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrN2O3
MOLECULAR WEIGHT: 243.01432
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)C#N
Structure:
CAS RN: 1827-97-0
CAS Name: 2,2,2-trifluoroethanesulfonic acid
OPENEYE Name: 2,2,2-trifluoroethanesulfonic acid
IUPAC Name: 2,2,2-trifluoroethanesulfonic acid
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)ethanesulfonic acid
MOLECULAR FORMULA: C2H3F3O3S
MOLECULAR WEIGHT: 164.10363
SMILES: C(C(F)(F)F)S(=O)(=O)O
Structure:
CAS RN: 1827-50-5
CAS Name: 2-chloro-1,1,2-trifluoroethanethiol
OPENEYE Name: 2-chloro-1,1,2-trifluoro-ethanethiol
IUPAC Name: 2-chloro-1,1,2-trifluoroethanethiol
SYSTEMATIC NAME: 2-chloranyl-1,1,2-tris(fluoranyl)ethanethiol
MOLECULAR FORMULA: C2H2ClF3S
MOLECULAR WEIGHT: 150.55049
SMILES: C(C(F)(F)S)(F)Cl
Structure:
CAS RN: 1825-26-9
CAS Name: 1,2,3,4,5-pentabromo-6-methoxybenzene
OPENEYE Name: 1,2,3,4,5-pentabromo-6-methoxy-benzene
IUPAC Name: 1,2,3,4,5-pentabromo-6-methoxybenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)-6-methoxy-benzene
MOLECULAR FORMULA: C7H3Br5O
MOLECULAR WEIGHT: 502.61812
SMILES: COC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
Structure:
CAS RN: 1823-37-6
CAS Name: 1-isocyanato-4-(phenylmethyl)benzene
OPENEYE Name: 1-benzyl-4-isocyanato-benzene
IUPAC Name: 1-benzyl-4-isocyanatobenzene
SYSTEMATIC NAME: 1-isocyanato-4-(phenylmethyl)benzene
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)N=C=O
Structure:
CAS RN: 1822-76-0
CAS Name: (ethenylthio)methylbenzene
OPENEYE Name: vinylsulfanylmethylbenzene
IUPAC Name: ethenylsulfanylmethylbenzene
SYSTEMATIC NAME: ethenylsulfanylmethylbenzene
MOLECULAR FORMULA: C9H10S
MOLECULAR WEIGHT: 150.2407
SMILES: C=CSCC1=CC=CC=C1
Structure:
CAS RN: 1749-29-7
CAS Name: lithium 2-methanidylpyridine
OPENEYE Name: lithium 2-methanidylpyridine
IUPAC Name: lithium 2-methanidylpyridine
SYSTEMATIC NAME: lithium 2-methanidylpyridine
MOLECULAR FORMULA: C6H6LiN
MOLECULAR WEIGHT: 99.05954
SMILES: [Li+].[CH2-]C1=CC=CC=N1
Structure:
CAS RN: 1732-31-6
CAS Name: 8-amino-1-pyrenol
OPENEYE Name: 8-aminopyren-1-ol
IUPAC Name: 8-aminopyren-1-ol
SYSTEMATIC NAME: 8-azanylpyren-1-ol
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC2=C3C(=C(C=C2)O)C=CC4=C(C=CC1=C43)N
Structure:
CAS RN: 1732-30-5
CAS Name: 6-amino-1-pyrenol
OPENEYE Name: 6-aminopyren-1-ol
IUPAC Name: 6-aminopyren-1-ol
SYSTEMATIC NAME: 6-azanylpyren-1-ol
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)O)N
Structure:
CAS RN: 1732-26-9
CAS Name: 4-bromopyrene
OPENEYE Name: 4-bromopyrene
IUPAC Name: 4-bromopyrene
SYSTEMATIC NAME: 4-bromanylpyrene
MOLECULAR FORMULA: C16H9Br
MOLECULAR WEIGHT: 281.14666
SMILES: C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)Br
Structure:
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