CAS RN: 19184-59-9
CAS Name: dodecyl-ethyl-dimethylammonium hydroxide
OPENEYE Name: dodecyl-ethyl-dimethyl-ammonium hydroxide
IUPAC Name: dodecyl-ethyl-dimethylazanium hydroxide
SYSTEMATIC NAME: dodecyl-ethyl-dimethyl-azanium hydroxide
MOLECULAR FORMULA: C16H37NO
MOLECULAR WEIGHT: 259.47108
SMILES: CCCCCCCCCCCC[N+](C)(C)CC.[OH-]
Structure:
CAS RN: 37809-19-1
CAS Name: calcium fluoro-dioxido-oxophosphorane dihydrate
OPENEYE Name: calcium fluoro-dioxido-oxo-$l^{5}-phosphane dihydrate
IUPAC Name: calcium fluoro-dioxido-oxo-$l^{5}-phosphane dihydrate
SYSTEMATIC NAME: calcium fluoranyl-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane dihydrate
MOLECULAR FORMULA: CaFH4O5P
MOLECULAR WEIGHT: 174.078924
SMILES: O.O.[O-]P(=O)([O-])F.[Ca+2]
Structure:
CAS RN: 197147-24-3
CAS Name: 2-methoxy-5-phenylaniline hydrochloride
OPENEYE Name: 2-methoxy-5-phenyl-aniline hydrochloride
IUPAC Name: 2-methoxy-5-phenylaniline hydrochloride
SYSTEMATIC NAME: 2-methoxy-5-phenyl-aniline hydrochloride
MOLECULAR FORMULA: C13H14ClNO
MOLECULAR WEIGHT: 235.70936
SMILES: COC1=C(C=C(C=C1)C2=CC=CC=C2)N.Cl
Structure:
CAS RN: 117160-99-3
CAS Name: (2S)-2-amino-3-cyclohexyl-1-propanol hydrochloride
OPENEYE Name: (2S)-2-amino-3-cyclohexyl-propan-1-ol hydrochloride
IUPAC Name: (2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-3-cyclohexyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C9H20ClNO
MOLECULAR WEIGHT: 193.7142
SMILES: C1CCC(CC1)C[C@@H](CO)N.Cl
Structure:
CAS RN: 2948-76-7
CAS Name: 2-(3,4-dihydroxyphenyl)-1-benzopyrylium-3,7-diol chloride
OPENEYE Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,7-diol chloride
IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,7-diol chloride
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]chromenylium-3,7-diol chloride
MOLECULAR FORMULA: C15H11ClO5
MOLECULAR WEIGHT: 306.69784
SMILES: C1=CC(=CC2=[O+]C(=C(C=C21)O)C3=CC(=C(C=C3)O)O)O.[Cl-]
Structure:
CAS RN: 7153-66-4
CAS Name: (Z)-4-chloro-2-buten-1-amine hydrochloride
OPENEYE Name: (Z)-4-chlorobut-2-en-1-amine hydrochloride
IUPAC Name: (Z)-4-chlorobut-2-en-1-amine hydrochloride
SYSTEMATIC NAME: (Z)-4-chloranylbut-2-en-1-amine hydrochloride
MOLECULAR FORMULA: C4H9Cl2N
MOLECULAR WEIGHT: 142.02696
SMILES: C(/C=C\CCl)N.Cl
Structure:
CAS RN: 3020-09-5
CAS Name: 5-(3,7-dihydroxy-1-benzopyrylium-2-yl)benzene-1,2,3-triol chloride
OPENEYE Name: 5-(3,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol chloride
IUPAC Name: 5-(3,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol chloride
SYSTEMATIC NAME: 5-[3,7-bis(oxidanyl)chromenylium-2-yl]benzene-1,2,3-triol chloride
MOLECULAR FORMULA: C15H11ClO6
MOLECULAR WEIGHT: 322.69724
SMILES: C1=CC(=CC2=[O+]C(=C(C=C21)O)C3=CC(=C(C(=C3)O)O)O)O.[Cl-]
Structure:
CAS RN: 85169-01-3
CAS Name: dimethyl-[7-(methylamino)-3-phenothiazinylidene]ammonium thiocyanate
OPENEYE Name: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]ammonium thiocyanate
IUPAC Name: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium thiocyanate
SYSTEMATIC NAME: dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium thiocyanate
MOLECULAR FORMULA: C16H16N4S2
MOLECULAR WEIGHT: 328.45504
SMILES: CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.C(#N)[S-]
Structure:
CAS RN: 103831-11-4
CAS Name: 3-pyrrolidinamine dihydrochloride
OPENEYE Name: pyrrolidin-3-amine dihydrochloride
IUPAC Name: pyrrolidin-3-amine dihydrochloride
SYSTEMATIC NAME: pyrrolidin-3-amine dihydrochloride
MOLECULAR FORMULA: C4H12Cl2N2
MOLECULAR WEIGHT: 159.05748
SMILES: C1CNCC1N.Cl.Cl
Structure:
CAS RN: 1068-63-9
CAS Name: cesium; oxalic acid
OPENEYE Name: cesium; oxalic acid
IUPAC Name: cesium; oxalic acid
SYSTEMATIC NAME: cesium; ethanedioic acid
MOLECULAR FORMULA: C2H2CsO4
MOLECULAR WEIGHT: 222.94033
SMILES: C(=O)(C(=O)O)O.[Cs]
Structure:
CAS RN: 11129-37-6
CAS Name: methanidylidynehafnium(1+)
OPENEYE Name: methanidylidynehafnium(1+)
IUPAC Name: methanidylidynehafnium(1+)
SYSTEMATIC NAME: methanidylidynehafnium(1+)
MOLECULAR FORMULA: CHf
MOLECULAR WEIGHT: 190.5007
SMILES: [C-]#[Hf+]
Structure:
CAS RN: 12039-88-2
CAS Name: bis($l^{3}-silanylidyne)tungsten
OPENEYE Name: bis($l^{3}-silanylidyne)tungsten
IUPAC Name: bis($l^{3}-silanylidyne)tungsten
SYSTEMATIC NAME: bis($l^{3}-silanylidyne)tungsten
MOLECULAR FORMULA: Si2W
MOLECULAR WEIGHT: 240.011
SMILES: [Si]#[W]#[Si]
Structure:
CAS RN: 12060-01-4
CAS Name: dioxido(oxo)zirconium; lead(2+)
OPENEYE Name: plumbous dioxido(oxo)zirconium
IUPAC Name: dioxido(oxo)zirconium; lead(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-zirconium; lead(2+)
MOLECULAR FORMULA: O3PbZr
MOLECULAR WEIGHT: 346.4222
SMILES: [O-][Zr](=O)[O-].[Pb+2]
Structure:
CAS RN: 12013-47-7
CAS Name: calcium dioxido(oxo)zirconium
OPENEYE Name: calcium dioxido(oxo)zirconium
IUPAC Name: calcium dioxido(oxo)zirconium
SYSTEMATIC NAME: calcium bis(oxidanidyl)-oxidanylidene-zirconium
MOLECULAR FORMULA: CaO3Zr
MOLECULAR WEIGHT: 179.3002
SMILES: [O-][Zr](=O)[O-].[Ca+2]
Structure:
CAS RN: 12007-99-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: B6Ca
MOLECULAR WEIGHT: 104.944
SMILES: B12B3[B-]14B5[B-]23B45.[Ca+2]
Structure:
CAS RN: 3542-44-7
CAS Name: 3-hydroxy-1-propanesulfonic acid; sodium
OPENEYE Name: 3-hydroxypropane-1-sulfonic acid; sodium
IUPAC Name: 3-hydroxypropane-1-sulfonic acid; sodium
SYSTEMATIC NAME: 3-oxidanylpropane-1-sulfonic acid; sodium
MOLECULAR FORMULA: C3H8NaO4S
MOLECULAR WEIGHT: 163.14799
SMILES: C(CO)CS(=O)(=O)O.[Na]
Structure:
CAS RN: 26266-57-9
CAS Name: hexadecanoic acid [(2R)-2-[(2R,3R,4S)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl] ester
OPENEYE Name: [(2R)-2-[(2R,3R,4S)-3,4-dihydroxytetrahydrofuran-2-yl]-2-hydroxy-ethyl] hexadecanoate
IUPAC Name: [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-[(2R,3R,4S)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl] hexadecanoate
MOLECULAR FORMULA: C22H42O6
MOLECULAR WEIGHT: 402.56528
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
Structure:
CAS RN: 36305-51-8
CAS Name: 1-ethyl-4-(1-ethyl-4-pyridin-1-iumyl)pyridin-1-ium diperchlorate
OPENEYE Name: 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
IUPAC Name: 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
SYSTEMATIC NAME: 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
MOLECULAR FORMULA: C14H18Cl2N2O8
MOLECULAR WEIGHT: 413.20732
SMILES: CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 62-74-8
CAS Name: sodium 2-fluoroacetate
OPENEYE Name: sodium 2-fluoroacetate
IUPAC Name: sodium 2-fluoroacetate
SYSTEMATIC NAME: sodium 2-fluoranylethanoate
MOLECULAR FORMULA: C2H2FNaO2
MOLECULAR WEIGHT: 100.024253
SMILES: C(C(=O)[O-])F.[Na+]
Structure:
CAS RN: 29890-05-9
CAS Name: carbon monoxide; 2-diphenylphosphinoethyl(diphenyl)phosphine; tungsten
OPENEYE Name: carbon monoxide; 2-diphenylphosphanylethyl(diphenyl)phosphane; tungsten
IUPAC Name: carbon monoxide; 2-diphenylphosphanylethyl(diphenyl)phosphane; tungsten
SYSTEMATIC NAME: carbon monoxide; 2-diphenylphosphanylethyl(diphenyl)phosphane; tungsten
MOLECULAR FORMULA: C30H24O4P2W
MOLECULAR WEIGHT: 694.296682
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[W]
Structure:
CAS RN: 57233-86-0
CAS Name: (1R)-1-(4-nitrophenyl)ethanamine hydrochloride
OPENEYE Name: (1R)-1-(4-nitrophenyl)ethanamine hydrochloride
IUPAC Name: (1R)-1-(4-nitrophenyl)ethanamine hydrochloride
SYSTEMATIC NAME: (1R)-1-(4-nitrophenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C8H11ClN2O2
MOLECULAR WEIGHT: 202.63814
SMILES: C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N.Cl
Structure:
CAS RN: 25875-50-7
CAS Name: 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine hydrochloride
OPENEYE Name: 1,2-bis[(E)-(4-chlorophenyl)methyleneamino]guanidine hydrochloride
IUPAC Name: 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine hydrochloride
SYSTEMATIC NAME: 1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine hydrochloride
MOLECULAR FORMULA: C15H14Cl3N5
MOLECULAR WEIGHT: 370.66416
SMILES: C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl.Cl
Structure:
CAS RN: 20300-00-9
CAS Name: 2-[2-(dimethoxyphosphorylthio)ethylsulfinyl]-N-methylpropanamide
OPENEYE Name: 2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)-N-methyl-propanamide
IUPAC Name: 2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)-N-methylpropanamide
SYSTEMATIC NAME: 2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)-N-methyl-propanamide
MOLECULAR FORMULA: C8H18NO5PS2
MOLECULAR WEIGHT: 303.335981
SMILES: CC(C(=O)NC)S(=O)CCSP(=O)(OC)OC
Structure:
CAS RN: 140923-17-7
CAS Name: N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamic acid propan-2-yl ester
OPENEYE Name: isopropyl N-[(1R)-2-methyl-1-[1-(p-tolyl)ethylcarbamoyl]propyl]carbamate
IUPAC Name: propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: CC1=CC=C(C=C1)C(C)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C
Structure:
CAS RN: 201800-35-3
CAS Name: N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamic acid propan-2-yl ester
OPENEYE Name: isopropyl N-[(1R)-2-methyl-1-[1-(p-tolyl)ethylcarbamoyl]propyl]carbamate
IUPAC Name: propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
SYSTEMATIC NAME: propan-2-yl N-[(2R)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxidanylidene-butan-2-yl]carbamate
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: CC1=CC=C(C=C1)C(C)NC(=O)[C@@H](C(C)C)NC(=O)OC(C)C
Structure:
CAS RN: 509-09-1
CAS Name: 2,2,3,3,3-pentafluoropropanoic acid; silver
OPENEYE Name: 2,2,3,3,3-pentafluoropropanoic acid; silver
IUPAC Name: 2,2,3,3,3-pentafluoropropanoic acid; silver
SYSTEMATIC NAME: 2,2,3,3,3-pentakis(fluoranyl)propanoic acid; silver
MOLECULAR FORMULA: C3HAgF5O2
MOLECULAR WEIGHT: 271.899056
SMILES: C(=O)(C(C(F)(F)F)(F)F)O.[Ag]
Structure:
CAS RN: 13473-77-3
CAS Name: lutetium(3+) trisulfate hydrate
OPENEYE Name: lutetium(3+) trisulfate hydrate
IUPAC Name: lutetium(3+) trisulfate hydrate
SYSTEMATIC NAME: lutetium(3+) trisulfate hydrate
MOLECULAR FORMULA: H2Lu2O13S3
MOLECULAR WEIGHT: 656.13708
SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Lu+3].[Lu+3]
Structure:
CAS RN: 10031-50-2
CAS Name: dysprosium(3+) trisulfate octahydrate
OPENEYE Name: dysprosium(3+) trisulfate octahydrate
IUPAC Name: dysprosium(3+) trisulfate octahydrate
SYSTEMATIC NAME: dysprosium(3+) trisulfate octahydrate
MOLECULAR FORMULA: Dy2H16O20S3
MOLECULAR WEIGHT: 757.31004
SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Dy+3].[Dy+3]
Structure:
CAS RN: 2792-70-3
CAS Name: sodium oxomethanolate
OPENEYE Name: sodium oxomethanolate
IUPAC Name: sodium oxomethanolate
SYSTEMATIC NAME: sodium oxidanylidenemethanolate
MOLECULAR FORMULA: CHNaO2
MOLECULAR WEIGHT: 69.999752
SMILES: [14CH](=O)[O-].[Na+]
Structure:
CAS RN: 992-98-3
CAS Name: formic acid; thallium
OPENEYE Name: formic acid; thallium
IUPAC Name: formic acid; thallium
SYSTEMATIC NAME: methanoic acid; thallium
MOLECULAR FORMULA: CH2O2Tl
MOLECULAR WEIGHT: 250.40868
SMILES: C(=O)O.[Tl]
Structure:
CAS RN: 3794-64-7
CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid; silver
OPENEYE Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid; silver
IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid; silver
SYSTEMATIC NAME: 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoic acid; silver
MOLECULAR FORMULA: C4HAgF7O2
MOLECULAR WEIGHT: 321.906562
SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O.[Ag]
Structure:
CAS RN: 9005-08-7
CAS Name: ethane-1,2-diol; heptadecanoic acid
OPENEYE Name: ethylene glycol; heptadecanoic acid
IUPAC Name: ethane-1,2-diol; heptadecanoic acid
SYSTEMATIC NAME: ethane-1,2-diol; heptadecanoic acid
MOLECULAR FORMULA: C19H40O4
MOLECULAR WEIGHT: 332.5185
SMILES: CCCCCCCCCCCCCCCCC(=O)O.C(CO)O
Structure:
CAS RN: 59531-86-1
CAS Name: (2R)-2-aminopropanoic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl (2R)-2-aminopropanoate hydrochloride
IUPAC Name: tert-butyl (2R)-2-aminopropanoate hydrochloride
SYSTEMATIC NAME: tert-butyl (2R)-2-azanylpropanoate hydrochloride
MOLECULAR FORMULA: C7H16ClNO2
MOLECULAR WEIGHT: 181.66044
SMILES: C[C@H](C(=O)OC(C)(C)C)N.Cl
Structure:
CAS RN: 475058-41-4
CAS Name: (3S)-3-piperidinol hydrochloride
OPENEYE Name: (3S)-piperidin-3-ol hydrochloride
IUPAC Name: (3S)-piperidin-3-ol hydrochloride
SYSTEMATIC NAME: (3S)-piperidin-3-ol hydrochloride
MOLECULAR FORMULA: C5H12ClNO
MOLECULAR WEIGHT: 137.60788
SMILES: C1C[C@@H](CNC1)O.Cl
Structure:
CAS RN: 64090-19-3
CAS Name: 1-(4-fluorophenyl)piperazine dihydrochloride
OPENEYE Name: 1-(4-fluorophenyl)piperazine dihydrochloride
IUPAC Name: 1-(4-fluorophenyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-(4-fluorophenyl)piperazine dihydrochloride
MOLECULAR FORMULA: C10H15Cl2FN2
MOLECULAR WEIGHT: 253.143903
SMILES: C1CN(CCN1)C2=CC=C(C=C2)F.Cl.Cl
Structure:
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