CAS RN: 702660-55-7
CAS Name: 3-[(E)-but-1-enyl]phenol
OPENEYE Name: 3-[(E)-but-1-enyl]phenol
IUPAC Name: 3-[(E)-but-1-enyl]phenol
SYSTEMATIC NAME: 3-[(E)-but-1-enyl]phenol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CC/C=C/C1=CC(=CC=C1)O
Structure:
CAS RN: 30899-14-0
CAS Name: bicyclo[2.2.1]heptane hydrochloride
OPENEYE Name: norbornane hydrochloride
IUPAC Name: bicyclo[2.2.1]heptane hydrochloride
SYSTEMATIC NAME: bicyclo[2.2.1]heptane hydrochloride
MOLECULAR FORMULA: C7H13Cl
MOLECULAR WEIGHT: 132.63112
SMILES: C1CC2CCC1C2.Cl
Structure:
CAS RN: 97460-76-9
CAS Name: 2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
OPENEYE Name: 2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
IUPAC Name: 2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C23H22N4
MOLECULAR WEIGHT: 354.44758
SMILES: CCCCN(CCC1=CC=CC=C1)C2=CC=C(C=C2)C(=C(C#N)C#N)C#N
Structure:
CAS RN: 84732-34-3
CAS Name: magnesium 4-nitrosophenolate
OPENEYE Name: magnesium 4-nitrosophenolate
IUPAC Name: magnesium 4-nitrosophenolate
SYSTEMATIC NAME: magnesium 4-nitrosophenolate
MOLECULAR FORMULA: C12H8MgN2O4
MOLECULAR WEIGHT: 268.50792
SMILES: C1=CC(=CC=C1N=O)[O-].C1=CC(=CC=C1N=O)[O-].[Mg+2]
Structure:
CAS RN: 97392-80-8
CAS Name: 7,7-dimethyloctanoate; platinum(4+)
OPENEYE Name: 7,7-dimethyloctanoate; platinum(4+)
IUPAC Name: 7,7-dimethyloctanoate; platinum(4+)
SYSTEMATIC NAME: 7,7-dimethyloctanoate; platinum(4+)
MOLECULAR FORMULA: C40H76O8Pt
MOLECULAR WEIGHT: 880.10464
SMILES: CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Pt+4]
Structure:
CAS RN: 884494-78-4
CAS Name: 6-chloro-3-fluoro-2-methylpyridine
OPENEYE Name: 6-chloro-3-fluoro-2-methyl-pyridine
IUPAC Name: 6-chloro-3-fluoro-2-methylpyridine
SYSTEMATIC NAME: 6-chloranyl-3-fluoranyl-2-methyl-pyridine
MOLECULAR FORMULA: C6H5ClFN
MOLECULAR WEIGHT: 145.562003
SMILES: CC1=C(C=CC(=N1)Cl)F
Structure:
CAS RN: 889940-13-0
CAS Name: 3,3,3-trifluoro-2,2-dimethylpropanoic acid
OPENEYE Name: 3,3,3-trifluoro-2,2-dimethyl-propanoic acid
IUPAC Name: 3,3,3-trifluoro-2,2-dimethylpropanoic acid
SYSTEMATIC NAME: 3,3,3-tris(fluoranyl)-2,2-dimethyl-propanoic acid
MOLECULAR FORMULA: C5H7F3O2
MOLECULAR WEIGHT: 156.10309
SMILES: CC(C)(C(=O)O)C(F)(F)F
Structure:
CAS RN: 1847-63-8
CAS Name: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine chloride
OPENEYE Name: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine chloride
IUPAC Name: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine chloride
SYSTEMATIC NAME: 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine chloride
MOLECULAR FORMULA: C29H31ClNO2-
MOLECULAR WEIGHT: 461.01494
SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.[Cl-]
Structure:
CAS RN: 128073-50-7
CAS Name: 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
IUPAC Name: ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 6-oxidanyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
MOLECULAR FORMULA: C12H16ClNO3
MOLECULAR WEIGHT: 257.71334
SMILES: CCOC(=O)C1C2=C(CCN1)C=C(C=C2)O.Cl
Structure:
CAS RN: 116230-20-7
CAS Name: 2-[2-(3-azabicyclo[2.2.1]heptan-3-yl)ethoxy]ethanol
OPENEYE Name: 2-[2-(3-azabicyclo[2.2.1]heptan-3-yl)ethoxy]ethanol
IUPAC Name: 2-[2-(3-azabicyclo[2.2.1]heptan-3-yl)ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-(3-azabicyclo[2.2.1]heptan-3-yl)ethoxy]ethanol
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: C1CC2CC1CN2CCOCCO
Structure:
CAS RN: 39479-97-5
CAS Name: 2-chloro-1-(difluoromethoxy)-4-isocyanatobenzene
OPENEYE Name: 2-chloro-1-(difluoromethoxy)-4-isocyanato-benzene
IUPAC Name: 2-chloro-1-(difluoromethoxy)-4-isocyanatobenzene
SYSTEMATIC NAME: 1-[bis(fluoranyl)methoxy]-2-chloranyl-4-isocyanato-benzene
MOLECULAR FORMULA: C8H4ClF2NO2
MOLECULAR WEIGHT: 219.572666
SMILES: C1=CC(=C(C=C1N=C=O)Cl)OC(F)F
Structure:
CAS RN: 166770-70-3
CAS Name: 2-chloro-4-(trifluoromethyl)-3-pyridinamine
OPENEYE Name: 2-chloro-4-(trifluoromethyl)pyridin-3-amine
IUPAC Name: 2-chloro-4-(trifluoromethyl)pyridin-3-amine
SYSTEMATIC NAME: 2-chloranyl-4-(trifluoromethyl)pyridin-3-amine
MOLECULAR FORMULA: C6H4ClF3N2
MOLECULAR WEIGHT: 196.55757
SMILES: C1=CN=C(C(=C1C(F)(F)F)N)Cl
Structure:
CAS RN: 102638-45-9
CAS Name: 3-(aminomethyl)benzoic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(aminomethyl)benzoate
IUPAC Name: tert-butyl 3-(aminomethyl)benzoate
SYSTEMATIC NAME: tert-butyl 3-(aminomethyl)benzoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(C)(C)OC(=O)C1=CC(=CC=C1)CN
Structure:
CAS RN: 77280-83-2
CAS Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: copper 2-amino-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: copper 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C6H9CuN3O2+2
MOLECULAR WEIGHT: 218.70056
SMILES: C1=C(NC=N1)CC(C(=O)O)N.[Cu+2]
Structure:
CAS RN: 7153-25-5
CAS Name: (3-oxo-3-phenylpropyl)-triphenylphosphonium bromide
OPENEYE Name: (3-oxo-3-phenyl-propyl)-triphenyl-phosphonium bromide
IUPAC Name: (3-oxo-3-phenylpropyl)-triphenylphosphanium bromide
SYSTEMATIC NAME: (3-oxidanylidene-3-phenyl-propyl)-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C27H24BrOP
MOLECULAR WEIGHT: 475.356621
SMILES: C1=CC=C(C=C1)C(=O)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 1099597-36-0
CAS Name: 1-chloro-2,4-difluoro-3-(trifluoromethyl)benzene
OPENEYE Name: 1-chloro-2,4-difluoro-3-(trifluoromethyl)benzene
IUPAC Name: 1-chloro-2,4-difluoro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2,4-bis(fluoranyl)-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H2ClF5
MOLECULAR WEIGHT: 216.535796
SMILES: C1=CC(=C(C(=C1F)C(F)(F)F)F)Cl
Structure:
CAS RN: 7783-16-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H2MnO3P+
MOLECULAR WEIGHT: 135.92589
SMILES: O.[O-]P=O.[Mn+2]
Structure:
CAS RN: 83871-85-6
CAS Name: 3-carbamoyl-2,4,6-trichlorobenzoic acid
OPENEYE Name: 3-carbamoyl-2,4,6-trichloro-benzoic acid
IUPAC Name: 3-carbamoyl-2,4,6-trichlorobenzoic acid
SYSTEMATIC NAME: 3-aminocarbonyl-2,4,6-tris(chloranyl)benzoic acid
MOLECULAR FORMULA: C8H4Cl3NO3
MOLECULAR WEIGHT: 268.48126
SMILES: C1=C(C(=C(C(=C1Cl)C(=O)O)Cl)C(=O)N)Cl
Structure:
CAS RN: 736905-51-4
CAS Name: 3-methoxypropanimidamide hydrochloride
OPENEYE Name: 3-methoxypropanamidine hydrochloride
IUPAC Name: 3-methoxypropanimidamide hydrochloride
SYSTEMATIC NAME: 3-methoxypropanimidamide hydrochloride
MOLECULAR FORMULA: C4H11ClN2O
MOLECULAR WEIGHT: 138.59594
SMILES: COCCC(=N)N.Cl
Structure:
CAS RN: 878774-08-4
CAS Name: 3-phenylmethoxypropanimidamide hydrochloride
OPENEYE Name: 3-benzyloxypropanamidine hydrochloride
IUPAC Name: 3-phenylmethoxypropanimidamide hydrochloride
SYSTEMATIC NAME: 3-phenylmethoxypropanimidamide hydrochloride
MOLECULAR FORMULA: C10H15ClN2O
MOLECULAR WEIGHT: 214.6919
SMILES: C1=CC=C(C=C1)COCCC(=N)N.Cl
Structure:
CAS RN: 93841-63-5
CAS Name: (4-methyl-2-tridecyl-5H-oxazol-4-yl)methanol
OPENEYE Name: (4-methyl-2-tridecyl-5H-oxazol-4-yl)methanol
IUPAC Name: (4-methyl-2-tridecyl-5H-1,3-oxazol-4-yl)methanol
SYSTEMATIC NAME: (4-methyl-2-tridecyl-5H-1,3-oxazol-4-yl)methanol
MOLECULAR FORMULA: C18H35NO2
MOLECULAR WEIGHT: 297.476
SMILES: CCCCCCCCCCCCCC1=NC(CO1)(C)CO
Structure:
CAS RN: 93841-64-6
CAS Name: (4-ethyl-2-tridecyl-5H-oxazol-4-yl)methanol
OPENEYE Name: (4-ethyl-2-tridecyl-5H-oxazol-4-yl)methanol
IUPAC Name: (4-ethyl-2-tridecyl-5H-1,3-oxazol-4-yl)methanol
SYSTEMATIC NAME: (4-ethyl-2-tridecyl-5H-1,3-oxazol-4-yl)methanol
MOLECULAR FORMULA: C19H37NO2
MOLECULAR WEIGHT: 311.50258
SMILES: CCCCCCCCCCCCCC1=NC(CO1)(CC)CO
Structure:
CAS RN: 7200-09-1
CAS Name: 7-hexyloctadecane
OPENEYE Name: 7-hexyloctadecane
IUPAC Name: 7-hexyloctadecane
SYSTEMATIC NAME: 7-hexyloctadecane
MOLECULAR FORMULA: C24H50
MOLECULAR WEIGHT: 338.6538
SMILES: CCCCCCCCCCCC(CCCCCC)CCCCCC
Structure:
CAS RN: 126312-61-6
CAS Name: 2-iodo-1,3-dimethyl-5-phenylmethoxybenzene
OPENEYE Name: 5-benzyloxy-2-iodo-1,3-dimethyl-benzene
IUPAC Name: 2-iodo-1,3-dimethyl-5-phenylmethoxybenzene
SYSTEMATIC NAME: 2-iodanyl-1,3-dimethyl-5-phenylmethoxy-benzene
MOLECULAR FORMULA: C15H15IO
MOLECULAR WEIGHT: 338.18347
SMILES: CC1=CC(=CC(=C1I)C)OCC2=CC=CC=C2
Structure:
CAS RN: 70964-44-2
CAS Name: 2-(diethylamino)-1-phenylethanone hydrochloride
OPENEYE Name: 2-(diethylamino)-1-phenyl-ethanone hydrochloride
IUPAC Name: 2-(diethylamino)-1-phenylethanone hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-1-phenyl-ethanone hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CCN(CC)CC(=O)C1=CC=CC=C1.Cl
Structure:
CAS RN: 20782-58-5
CAS Name: 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
OPENEYE Name: 3-(3-chloro-4-ethoxy-phenyl)-1,1-dimethyl-urea
IUPAC Name: 3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(3-chloranyl-4-ethoxy-phenyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: CCOC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
Structure:
CAS RN: 69148-12-5
CAS Name: acetic acid (2-chloro-3,5-diiodo-4-pyridinyl) ester
OPENEYE Name: (2-chloro-3,5-diiodo-4-pyridyl) acetate
IUPAC Name: (2-chloro-3,5-diiodopyridin-4-yl) acetate
SYSTEMATIC NAME: [2-chloranyl-3,5-bis(iodanyl)pyridin-4-yl] ethanoate
MOLECULAR FORMULA: C7H4ClI2NO2
MOLECULAR WEIGHT: 423.3741
SMILES: CC(=O)OC1=C(C(=NC=C1I)Cl)I
Structure:
CAS RN: 82807-83-8
CAS Name: 2-ethylbutanoate; iron(3+)
OPENEYE Name: ferric 2-ethylbutanoate
IUPAC Name: 2-ethylbutanoate; iron(3+)
SYSTEMATIC NAME: 2-ethylbutanoate; iron(3+)
MOLECULAR FORMULA: C18H33FeO6
MOLECULAR WEIGHT: 401.29602
SMILES: CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].[Fe+3]
Structure:
CAS RN: 25369-43-1
CAS Name: 2-oxo-1,3-dihydroindole-7-carboxylic acid
OPENEYE Name: 2-oxoindoline-7-carboxylic acid
IUPAC Name: 2-oxo-1,3-dihydroindole-7-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-1,3-dihydroindole-7-carboxylic acid
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C1C2=CC=CC(=C2NC1=O)C(=O)O
Structure:
CAS RN: 11095-66-2
CAS Name: ammonium iron(3+) fluoride phosphate
OPENEYE Name: ammonium ferric fluoride phosphate
IUPAC Name: azanium iron(3+) fluoride phosphate
SYSTEMATIC NAME: azanium iron(3+) fluoride phosphate
MOLECULAR FORMULA: FFeH4NO4P
MOLECULAR WEIGHT: 187.853224
SMILES: [NH4+].[O-]P(=O)([O-])[O-].[F-].[Fe+3]
Structure:
CAS RN: 83356-86-9
CAS Name: ammonium iron(3+) fluoride phosphate
OPENEYE Name: ammonium ferric fluoride phosphate
IUPAC Name: azanium iron(3+) fluoride phosphate
SYSTEMATIC NAME: azanium iron(3+) fluoride phosphate
MOLECULAR FORMULA: FFeH4NO4P
MOLECULAR WEIGHT: 187.853224
SMILES: [NH4+].[O-]P(=O)([O-])[O-].[F-].[Fe+3]
Structure:
CAS RN: 20542-97-6
CAS Name: iron(3+) borate
OPENEYE Name: ferric borate
IUPAC Name: iron(3+) borate
SYSTEMATIC NAME: iron(3+) borate
MOLECULAR FORMULA: BFeO3
MOLECULAR WEIGHT: 114.6542
SMILES: B([O-])([O-])[O-].[Fe+3]
Structure:
CAS RN: 2471-08-1
CAS Name: [dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
OPENEYE Name: [dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silane
IUPAC Name: [dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
SYSTEMATIC NAME: [dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silyl]oxy-dimethyl-silane
MOLECULAR FORMULA: C26H78O11Si12
MOLECULAR WEIGHT: 903.91692
SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
Structure:
CAS RN: 127169-16-8
CAS Name: [2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]methanol
OPENEYE Name: (2-benzylisoindolin-5-yl)methanol
IUPAC Name: (2-benzyl-1,3-dihydroisoindol-5-yl)methanol
SYSTEMATIC NAME: [2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]methanol
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: C1C2=C(CN1CC3=CC=CC=C3)C=C(C=C2)CO
Structure:
CAS RN: 127169-00-0
CAS Name: N-[[2-(phenylmethyl)-1,3-dihydroisoindol-4-yl]methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-benzylisoindolin-4-yl)methyl]carbamate
IUPAC Name: tert-butyl N-[(2-benzyl-1,3-dihydroisoindol-4-yl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[2-(phenylmethyl)-1,3-dihydroisoindol-4-yl]methyl]carbamate
MOLECULAR FORMULA: C21H26N2O2
MOLECULAR WEIGHT: 338.44334
SMILES: CC(C)(C)OC(=O)NCC1=CC=CC2=C1CN(C2)CC3=CC=CC=C3
Structure:
CAS RN: 39055-82-8
CAS Name: 5-acetyl-2-hydroxybenzonitrile
OPENEYE Name: 5-acetyl-2-hydroxy-benzonitrile
IUPAC Name: 5-acetyl-2-hydroxybenzonitrile
SYSTEMATIC NAME: 5-ethanoyl-2-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: CC(=O)C1=CC(=C(C=C1)O)C#N
Structure:
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