CAS RN: 53320-75-5
CAS Name: aluminum sodium dioxido(oxo)silane
OPENEYE Name: aluminum sodium dioxido(oxo)silane
IUPAC Name: aluminum sodium dioxido(oxo)silane
SYSTEMATIC NAME: aluminum sodium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: AlNaO6Si2
MOLECULAR WEIGHT: 202.138708
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[Na+].[Al+3]
Structure:
CAS RN: 68989-22-0
CAS Name: aluminum sodium dioxido(oxo)silane
OPENEYE Name: aluminum sodium dioxido(oxo)silane
IUPAC Name: aluminum sodium dioxido(oxo)silane
SYSTEMATIC NAME: aluminum sodium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: AlNaO6Si2
MOLECULAR WEIGHT: 202.138708
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[Na+].[Al+3]
Structure:
CAS RN: 884739-74-6
CAS Name: aluminum sodium dioxido(oxo)silane
OPENEYE Name: aluminum sodium dioxido(oxo)silane
IUPAC Name: aluminum sodium dioxido(oxo)silane
SYSTEMATIC NAME: aluminum sodium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: AlNaO6Si2
MOLECULAR WEIGHT: 202.138708
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[Na+].[Al+3]
Structure:
CAS RN: 21216-31-9
CAS Name: 2-(1H-indol-3-yl)ethylhydrazine
OPENEYE Name: 2-(1H-indol-3-yl)ethylhydrazine
IUPAC Name: 2-(1H-indol-3-yl)ethylhydrazine
SYSTEMATIC NAME: 2-(1H-indol-3-yl)ethyldiazane
MOLECULAR FORMULA: C10H13N3
MOLECULAR WEIGHT: 175.23032
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNN
Structure:
CAS RN: 94333-62-7
CAS Name: 3-amino-2-(3-thiophenyl)propanoic acid
OPENEYE Name: 3-amino-2-(3-thienyl)propanoic acid
IUPAC Name: 3-amino-2-thiophen-3-ylpropanoic acid
SYSTEMATIC NAME: 3-azanyl-2-thiophen-3-yl-propanoic acid
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: C1=CSC=C1C(CN)C(=O)O
Structure:
CAS RN: 143250-10-6
CAS Name: 2-bromo-5-methoxypyrazine
OPENEYE Name: 2-bromo-5-methoxy-pyrazine
IUPAC Name: 2-bromo-5-methoxypyrazine
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-pyrazine
MOLECULAR FORMULA: C5H5BrN2O
MOLECULAR WEIGHT: 189.01
SMILES: COC1=CN=C(C=N1)Br
Structure:
CAS RN: 133145-29-6
CAS Name: 5-pentoxy-2H-benzotriazole
OPENEYE Name: 5-pentoxy-2H-benzotriazole
IUPAC Name: 5-pentoxy-2H-benzotriazole
SYSTEMATIC NAME: 5-pentoxy-2H-benzotriazole
MOLECULAR FORMULA: C11H15N3O
MOLECULAR WEIGHT: 205.2563
SMILES: CCCCCOC1=CC2=NNN=C2C=C1
Structure:
CAS RN: 17172-27-9
CAS Name: chlorosulfamic acid
OPENEYE Name: chlorosulfamic acid
IUPAC Name: chlorosulfamic acid
SYSTEMATIC NAME: chloranylsulfamic acid
MOLECULAR FORMULA: ClH2NO3S
MOLECULAR WEIGHT: 131.53878
SMILES: N(S(=O)(=O)O)Cl
Structure:
CAS RN: 10036-28-9
CAS Name: 2-methyl-1,3-dihydro-2-benzothiophen-2-ium iodide
OPENEYE Name: 2-methyl-1,3-dihydro-2-benzothiophen-2-ium iodide
IUPAC Name: 2-methyl-1,3-dihydro-2-benzothiophen-2-ium iodide
SYSTEMATIC NAME: 2-methyl-1,3-dihydro-2-benzothiophen-2-ium iodide
MOLECULAR FORMULA: C9H11IS
MOLECULAR WEIGHT: 278.15311
SMILES: C[S+]1CC2=CC=CC=C2C1.[I-]
Structure:
CAS RN: 183235-80-5
CAS Name: 2-(cyclopentylamino)-2-oxoacetic acid
OPENEYE Name: 2-(cyclopentylamino)-2-oxo-acetic acid
IUPAC Name: 2-(cyclopentylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(cyclopentylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: C1CCC(C1)NC(=O)C(=O)O
Structure:
CAS RN: 5386-57-2
CAS Name: carbonic acid (2,4-dinitro-6-pentan-2-ylphenyl) propan-2-yl ester
OPENEYE Name: isopropyl [2-(1-methylbutyl)-4,6-dinitro-phenyl] carbonate
IUPAC Name: (2,4-dinitro-6-pentan-2-ylphenyl) propan-2-yl carbonate
SYSTEMATIC NAME: (2,4-dinitro-6-pentan-2-yl-phenyl) propan-2-yl carbonate
MOLECULAR FORMULA: C15H20N2O7
MOLECULAR WEIGHT: 340.3285
SMILES: CCCC(C)C1=CC(=CC(=C1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 868-15-5
CAS Name: lithium potassium 2,3-dihydroxybutanedioate
OPENEYE Name: lithium potassium 2,3-dihydroxybutanedioate
IUPAC Name: lithium potassium 2,3-dihydroxybutanedioate
SYSTEMATIC NAME: lithium potassium 2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4KLiO6
MOLECULAR WEIGHT: 194.11026
SMILES: [Li+].C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+]
Structure:
CAS RN: 18480-52-9
CAS Name: 3,4-dichloro-5-isothiazolecarbonitrile
OPENEYE Name: 3,4-dichloroisothiazole-5-carbonitrile
IUPAC Name: 3,4-dichloro-1,2-thiazole-5-carbonitrile
SYSTEMATIC NAME: 3,4-bis(chloranyl)-1,2-thiazole-5-carbonitrile
MOLECULAR FORMULA: C4Cl2N2S
MOLECULAR WEIGHT: 179.0272
SMILES: C(#N)C1=C(C(=NS1)Cl)Cl
Structure:
CAS RN: 84823-49-4
CAS Name: N-[1-[(Z)-1-(diphenylmethyl)oxy-1-hydroxy-3-oxobut-1-en-2-yl]-2-[(4-methylphenyl)sulfonylthio]-4-oxo-3-azetidinyl]-2-phenoxyacetamide
OPENEYE Name: N-[1-[(1Z)-1-[benzhydryloxy(hydroxy)methylene]-2-oxo-propyl]-2-oxo-4-(p-tolylsulfonylsulfanyl)azetidin-3-yl]-2-phenoxy-acetamide
IUPAC Name: N-[1-[(Z)-1-benzhydryloxy-1-hydroxy-3-oxobut-1-en-2-yl]-2-(4-methylphenyl)sulfonylsulfanyl-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: N-[1-[(Z)-1-(diphenylmethyl)oxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-(4-methylphenyl)sulfonylsulfanyl-4-oxidanylidene-azetidin-3-yl]-2-phenoxy-ethanamide
MOLECULAR FORMULA: C35H32N2O8S2
MOLECULAR WEIGHT: 672.76718
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2/C(=C(/O)\OC(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)C)NC(=O)COC5=CC=CC=C5
Structure:
CAS RN: 713-09-7
CAS Name: 1H-indazole-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1H-indazole-6-carboxylate
IUPAC Name: ethyl 1H-indazole-6-carboxylate
SYSTEMATIC NAME: ethyl 1H-indazole-6-carboxylate
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCOC(=O)C1=CC2=C(C=C1)C=NN2
Structure:
CAS RN: 84681-97-0
CAS Name: calcium 2-[octadecoxy(oxo)methyl]benzoate
OPENEYE Name: calcium 2-octadecoxycarbonylbenzoate
IUPAC Name: calcium 2-octadecoxycarbonylbenzoate
SYSTEMATIC NAME: calcium 2-octadecoxycarbonylbenzoate
MOLECULAR FORMULA: C26H41CaO4+
MOLECULAR WEIGHT: 457.67934
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Ca+2]
Structure:
CAS RN: 174349-93-0
CAS Name: 5-bromo-1,3-dihydroinden-2-one
OPENEYE Name: 5-bromoindan-2-one
IUPAC Name: 5-bromo-1,3-dihydroinden-2-one
SYSTEMATIC NAME: 5-bromanyl-1,3-dihydroinden-2-one
MOLECULAR FORMULA: C9H7BrO
MOLECULAR WEIGHT: 211.05528
SMILES: C1C(=O)CC2=C1C=CC(=C2)Br
Structure:
CAS RN: 34849-19-9
CAS Name: 1,2,3,4-tetrahydroquinoline-8-carboxylate
OPENEYE Name: 1,2,3,4-tetrahydroquinoline-8-carboxylate
IUPAC Name: 1,2,3,4-tetrahydroquinoline-8-carboxylate
SYSTEMATIC NAME: 1,2,3,4-tetrahydroquinoline-8-carboxylate
MOLECULAR FORMULA: C10H10NO2-
MOLECULAR WEIGHT: 176.1919
SMILES: C1CC2=CC=CC(=C2NC1)C(=O)[O-]
Structure:
CAS RN: 79728-78-2
CAS Name: N-[[acetyl(ethyl)amino]-dimethylsilyl]-N-ethylacetamide
OPENEYE Name: N-[[acetyl(ethyl)amino]-dimethyl-silyl]-N-ethyl-acetamide
IUPAC Name: N-[[acetyl(ethyl)amino]-dimethylsilyl]-N-ethylacetamide
SYSTEMATIC NAME: N-[[ethanoyl(ethyl)amino]-dimethyl-silyl]-N-ethyl-ethanamide
MOLECULAR FORMULA: C10H22N2O2Si
MOLECULAR WEIGHT: 230.37938
SMILES: CCN(C(=O)C)[Si](C)(C)N(CC)C(=O)C
Structure:
CAS RN: 166250-01-7
CAS Name: 4-chloro-6-fluoro-2,3-dihydroinden-1-one
OPENEYE Name: 4-chloro-6-fluoro-indan-1-one
IUPAC Name: 4-chloro-6-fluoro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 4-chloranyl-6-fluoranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H6ClFO
MOLECULAR WEIGHT: 184.594743
SMILES: C1CC(=O)C2=CC(=CC(=C21)Cl)F
Structure:
CAS RN: 6372-41-4
CAS Name: 1-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[4-[(E)-2-[4-(dimethylamino)phenyl]vinyl]phenyl]pyrrole-2,5-dione
IUPAC Name: 1-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C20H18N2O2
MOLECULAR WEIGHT: 318.36912
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N3C(=O)C=CC3=O
Structure:
CAS RN: 100783-70-8
CAS Name: aluminum 4-methylphenolate
OPENEYE Name: aluminum 4-methylphenolate
IUPAC Name: aluminum 4-methylphenolate
SYSTEMATIC NAME: aluminum 4-methylphenolate
MOLECULAR FORMULA: C21H21AlO3
MOLECULAR WEIGHT: 348.371178
SMILES: CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].[Al+3]
Structure:
CAS RN: 219529-52-9
CAS Name: aluminum 4-methylphenolate
OPENEYE Name: aluminum 4-methylphenolate
IUPAC Name: aluminum 4-methylphenolate
SYSTEMATIC NAME: aluminum 4-methylphenolate
MOLECULAR FORMULA: C21H21AlO3
MOLECULAR WEIGHT: 348.371178
SMILES: CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].[Al+3]
Structure:
CAS RN: 72269-62-6
CAS Name: aluminum 4-methylphenolate
OPENEYE Name: aluminum 4-methylphenolate
IUPAC Name: aluminum 4-methylphenolate
SYSTEMATIC NAME: aluminum 4-methylphenolate
MOLECULAR FORMULA: C21H21AlO3
MOLECULAR WEIGHT: 348.371178
SMILES: CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].CC1=CC=C(C=C1)[O-].[Al+3]
Structure:
CAS RN: 31181-79-0
CAS Name: (3-fluoro-2-pyridinyl)methanol
OPENEYE Name: (3-fluoro-2-pyridyl)methanol
IUPAC Name: (3-fluoropyridin-2-yl)methanol
SYSTEMATIC NAME: (3-fluoranylpyridin-2-yl)methanol
MOLECULAR FORMULA: C6H6FNO
MOLECULAR WEIGHT: 127.116343
SMILES: C1=CC(=C(N=C1)CO)F
Structure:
CAS RN: 183208-71-1
CAS Name: 4-trimethylsilyl-3-butyn-1-amine
OPENEYE Name: 4-trimethylsilylbut-3-yn-1-amine
IUPAC Name: 4-trimethylsilylbut-3-yn-1-amine
SYSTEMATIC NAME: 4-trimethylsilylbut-3-yn-1-amine
MOLECULAR FORMULA: C7H15NSi
MOLECULAR WEIGHT: 141.2862
SMILES: C[Si](C)(C)C#CCCN
Structure:
CAS RN: 32687-39-1
CAS Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanol
OPENEYE Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanol
IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanol
SYSTEMATIC NAME: 2-bromanyl-1-[4-(trifluoromethyl)phenyl]ethanol
MOLECULAR FORMULA: C9H8BrF3O
MOLECULAR WEIGHT: 269.05843
SMILES: C1=CC(=CC=C1C(CBr)O)C(F)(F)F
Structure:
CAS RN: 39891-70-8
CAS Name: 2,3-dihydro-1H-indole-3-carboxylic acid
OPENEYE Name: indoline-3-carboxylic acid
IUPAC Name: 2,3-dihydro-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 2,3-dihydro-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1C(C2=CC=CC=C2N1)C(=O)O
Structure:
CAS RN: 50807-15-3
CAS Name: 4-(2-cyclohexylpropan-2-yl)-1-cyclohexanol
OPENEYE Name: 4-(1-cyclohexyl-1-methyl-ethyl)cyclohexanol
IUPAC Name: 4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
SYSTEMATIC NAME: 4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C15H28O
MOLECULAR WEIGHT: 224.38222
SMILES: CC(C)(C1CCCCC1)C2CCC(CC2)O
Structure:
CAS RN: 14239-17-9
CAS Name: lithium butyl-tris(2-methylpropyl)alumanuide
OPENEYE Name: lithium butyl(triisobutyl)alumanuide
IUPAC Name: lithium butyl-tris(2-methylpropyl)alumanuide
SYSTEMATIC NAME: lithium butyl-tris(2-methylpropyl)alumanuide
MOLECULAR FORMULA: C16H36AlLi
MOLECULAR WEIGHT: 262.379578
SMILES: [Li+].CCCC[Al-](CC(C)C)(CC(C)C)CC(C)C
Structure:
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