Saturday, August 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: bis(1,1-diethyl-2-methyl-allyloxy)-oxo-phosphonium
CAS Name: bis[(3-ethyl-2-methylpent-1-en-3-yl)oxy]-oxophosphonium
IUPAC NAME: bis[(3-ethyl-2-methylpent-1-en-3-yl)oxy]-oxophosphanium
SYSTEMATIC NAME: bis[(3-ethyl-2-methyl-pent-1-en-3-yl)oxy]-oxidanylidene-phosphanium
MOLECULAR FORMULA: C16H30O3P+
MOLECULAR WEIGHT: 301.381361
SMILES: CCC(CC)(C(=C)C)O[P+](=O)OC(CC)(CC)C(=C)C
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Product OPENEYE NAME: oxo-bis[(E)-3-(1,2,4-triazol-1-yl)allyloxy]phosphonium
CAS Name: oxo-bis[(E)-3-(1,2,4-triazol-1-yl)prop-2-enoxy]phosphonium
IUPAC NAME: oxo-bis[(E)-3-(1,2,4-triazol-1-yl)prop-2-enoxy]phosphanium
SYSTEMATIC NAME: oxidanylidene-bis[(E)-3-(1,2,4-triazol-1-yl)prop-2-enoxy]phosphanium
MOLECULAR FORMULA: C10H12N6O3P+
MOLECULAR WEIGHT: 295.214441
SMILES: C1=NN(C=N1)/C=C/CO[P+](=O)OC/C=C/N2N=CN=C2
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Product OPENEYE NAME: 1-[(E)-3-dimethoxyphosphoryl-2-ethoxy-allyl]-1,2,4-triazole
CAS Name: 1-[(E)-3-dimethoxyphosphoryl-2-ethoxyprop-2-enyl]-1,2,4-triazole
IUPAC NAME: 1-[(E)-3-dimethoxyphosphoryl-2-ethoxyprop-2-enyl]-1,2,4-triazole
SYSTEMATIC NAME: 1-[(E)-3-dimethoxyphosphoryl-2-ethoxy-prop-2-enyl]-1,2,4-triazole
MOLECULAR FORMULA: C9H16N3O4P
MOLECULAR WEIGHT: 261.214801
SMILES: CCO/C(=C/P(=O)(OC)OC)/CN1C=NC=N1
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Product OPENEYE NAME: 1-dimethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propan-2-one
CAS Name: 1-dimethoxyphosphoryl-3-(1,2,4-triazol-1-yl)-2-propanone
IUPAC NAME: 1-dimethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propan-2-one
SYSTEMATIC NAME: 1-dimethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propan-2-one
MOLECULAR FORMULA: C7H12N3O4P
MOLECULAR WEIGHT: 233.161641
SMILES: COP(=O)(CC(=O)CN1C=NC=N1)OC
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Product OPENEYE NAME: 1-diethoxyphosphoryl-2-methyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CAS Name: 1-diethoxyphosphoryl-2-methyl-3-(1,2,4-triazol-1-yl)-2-propanol
IUPAC NAME: 1-diethoxyphosphoryl-2-methyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-diethoxyphosphoryl-2-methyl-3-(1,2,4-triazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C10H20N3O4P
MOLECULAR WEIGHT: 277.257261
SMILES: CCOP(=O)(CC(C)(CN1C=NC=N1)O)OCC
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Product OPENEYE NAME: (4-tert-butylsulfanylphenoxy)-diethoxy-thioxo-$l^{5}-phosphane
CAS Name: [4-(tert-butylthio)phenoxy]-diethoxy-sulfanylidenephosphorane
IUPAC NAME: (4-tert-butylsulfanylphenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (4-tert-butylsulfanylphenoxy)-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C14H23O3PS2
MOLECULAR WEIGHT: 334.434381
SMILES: CCOP(=S)(OCC)OC1=CC=C(C=C1)SC(C)(C)C
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Product OPENEYE NAME: 2-tert-butylsulfinylphenol
CAS Name: 2-tert-butylsulfinylphenol
IUPAC NAME: 2-tert-butylsulfinylphenol
SYSTEMATIC NAME: 2-tert-butylsulfinylphenol
MOLECULAR FORMULA: C10H14O2S
MOLECULAR WEIGHT: 198.28196
SMILES: CC(C)(C)S(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 4-tert-butylsulfanyl-2-chloro-phenol
CAS Name: 4-(tert-butylthio)-2-chlorophenol
IUPAC NAME: 4-tert-butylsulfanyl-2-chlorophenol
SYSTEMATIC NAME: 4-tert-butylsulfanyl-2-chloranyl-phenol
MOLECULAR FORMULA: C10H13ClOS
MOLECULAR WEIGHT: 216.72762
SMILES: CC(C)(C)SC1=CC(=C(C=C1)O)Cl
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Product OPENEYE NAME: 4-tert-butylsulfanyl-3-methyl-phenol
CAS Name: 4-(tert-butylthio)-3-methylphenol
IUPAC NAME: 4-tert-butylsulfanyl-3-methylphenol
SYSTEMATIC NAME: 4-tert-butylsulfanyl-3-methyl-phenol
MOLECULAR FORMULA: C11H16OS
MOLECULAR WEIGHT: 196.30914
SMILES: CC1=C(C=CC(=C1)O)SC(C)(C)C
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Product OPENEYE NAME: (2Z)-2-[1-(2-pyridyl)ethoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetic acid
CAS Name: (2Z)-2-[1-(2-pyridinyl)ethoxyimino]-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid
IUPAC NAME: (2Z)-2-(1-pyridin-2-ylethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: (2Z)-2-(1-pyridin-2-ylethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C31H26N4O3S
MOLECULAR WEIGHT: 534.62814
SMILES: CC(C1=CC=CC=N1)O/N=C(/C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)\C(=O)O
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Product OPENEYE NAME: 1-methylpiperazine hydroiodide
CAS Name: 1-methylpiperazine hydroiodide
IUPAC NAME: 1-methylpiperazine hydroiodide
SYSTEMATIC NAME: 1-methylpiperazine hydroiodide
MOLECULAR FORMULA: C5H13IN2
MOLECULAR WEIGHT: 228.07459
SMILES: CN1CCNCC1.I
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Product OPENEYE NAME: (2Z)-2-(2H-tetrazol-5-ylmethoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetic acid
CAS Name: (2Z)-2-(2H-tetrazol-5-ylmethoxyimino)-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid
IUPAC NAME: (2Z)-2-(2H-tetrazol-5-ylmethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: (2Z)-2-(2H-1,2,3,4-tetrazol-5-ylmethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C26H21N7O3S
MOLECULAR WEIGHT: 511.55504
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)/C(=N/OCC5=NNN=N5)/C(=O)O
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Product OPENEYE NAME: 2-nitro-3-(3-thienyl)pyridine
CAS Name: 2-nitro-3-(3-thiophenyl)pyridine
IUPAC NAME: 2-nitro-3-thiophen-3-ylpyridine
SYSTEMATIC NAME: 2-nitro-3-thiophen-3-yl-pyridine
MOLECULAR FORMULA: C9H6N2O2S
MOLECULAR WEIGHT: 206.22114
SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])C2=CSC=C2
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Product OPENEYE NAME: 5-(thiadiazol-4-yl)thiophen-3-amine
CAS Name: 5-(4-thiadiazolyl)-3-thiophenamine
IUPAC NAME: 5-(thiadiazol-4-yl)thiophen-3-amine
SYSTEMATIC NAME: 5-(1,2,3-thiadiazol-4-yl)thiophen-3-amine
MOLECULAR FORMULA: C6H5N3S2
MOLECULAR WEIGHT: 183.254
SMILES: C1=C(SC=C1N)C2=CSN=N2
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Product OPENEYE NAME: (2E)-2-(thiazol-4-ylmethoxyimino)acetic acid; N-trityl-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
CAS Name: (2E)-2-(4-thiazolylmethoxyimino)acetic acid; N-(triphenylmethyl)-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
IUPAC NAME: (2E)-2-(1,3-thiazol-4-ylmethoxyimino)acetic acid; N-trityl-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
SYSTEMATIC NAME: (2E)-2-(1,3-thiazol-4-ylmethoxyimino)ethanoic acid; N-(triphenylmethyl)-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
MOLECULAR FORMULA: C26H22N7O3S+
MOLECULAR WEIGHT: 512.56298
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N[N+]45C(=N4)N=N5.C1=C(N=CS1)CO/N=C/C(=O)O
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Product OPENEYE NAME: (2E)-2-(thiazol-4-ylmethoxyimino)acetic acid
CAS Name: (2E)-2-(4-thiazolylmethoxyimino)acetic acid
IUPAC NAME: (2E)-2-(1,3-thiazol-4-ylmethoxyimino)acetic acid
SYSTEMATIC NAME: (2E)-2-(1,3-thiazol-4-ylmethoxyimino)ethanoic acid
MOLECULAR FORMULA: C6H6N2O3S
MOLECULAR WEIGHT: 186.18844
SMILES: C1=C(N=CS1)CO/N=C/C(=O)O
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Product OPENEYE NAME: N-trityl-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
CAS Name: N-(triphenylmethyl)-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
IUPAC NAME: N-trityl-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
SYSTEMATIC NAME: N-(triphenylmethyl)-2,3,5-triaza-1-azoniabicyclo[2.1.0]penta-2,4-dien-1-amine
MOLECULAR FORMULA: C20H16N5+
MOLECULAR WEIGHT: 326.37454
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N[N+]45C(=N4)N=N5
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Product OPENEYE NAME: ethyl (2Z)-2-[2-(tritylamino)ethoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetate
CAS Name: (2Z)-2-[2-[(triphenylmethyl)amino]ethoxyimino]-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-[2-(tritylamino)ethoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
SYSTEMATIC NAME: ethyl (2Z)-2-[2-[(triphenylmethyl)amino]ethoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoate
MOLECULAR FORMULA: C47H42N4O3S
MOLECULAR WEIGHT: 742.92638
SMILES: CCOC(=O)/C(=N\OCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetic acid; 1-hydroxybenzotriazole
CAS Name: (2Z)-2-(2-azidoethoxyimino)-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid; 1-hydroxybenzotriazole
IUPAC NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid; 1-hydroxybenzotriazole
SYSTEMATIC NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid; 1-oxidanylbenzotriazole
MOLECULAR FORMULA: C32H27N9O4S
MOLECULAR WEIGHT: 633.67968
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)/C(=N/OCCN=[N+]=[N-])/C(=O)O.C1=CC=C2C(=C1)N=NN2O
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Product OPENEYE NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-(tritylamino)thiazol-4-yl]acetic acid
CAS Name: (2Z)-2-(2-azidoethoxyimino)-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid
IUPAC NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: (2Z)-2-(2-azidoethoxyimino)-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C26H22N6O3S
MOLECULAR WEIGHT: 498.55628
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)/C(=N/OCCN=[N+]=[N-])/C(=O)O
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Product OPENEYE NAME: 1-hydroxybenzotriazole; (2E)-2-[2-(tritylamino)ethoxyimino]-2-[2-(tritylamino)thiazol-4-yl]acetic acid
CAS Name: 1-hydroxybenzotriazole; (2E)-2-[2-[(triphenylmethyl)amino]ethoxyimino]-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid
IUPAC NAME: 1-hydroxybenzotriazole; (2E)-2-[2-(tritylamino)ethoxyimino]-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: 1-oxidanylbenzotriazole; (2E)-2-[2-[(triphenylmethyl)amino]ethoxyimino]-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C51H43N7O4S
MOLECULAR WEIGHT: 849.99662
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCO/N=C(\C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C(=O)O.C1=CC=C2C(=C1)N=NN2O
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Product OPENEYE NAME: 2-aminoethanol; pyridine
CAS Name: 2-aminoethanol; pyridine
IUPAC NAME: 2-aminoethanol; pyridine
SYSTEMATIC NAME: 2-azanylethanol; pyridine
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: C1=CC=NC=C1.C(CO)N
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Product OPENEYE NAME: 6-methyl-3-(2-thienyl)pyridine-2-carbonitrile
CAS Name: 6-methyl-3-thiophen-2-yl-2-pyridinecarbonitrile
IUPAC NAME: 6-methyl-3-thiophen-2-ylpyridine-2-carbonitrile
SYSTEMATIC NAME: 6-methyl-3-thiophen-2-yl-pyridine-2-carbonitrile
MOLECULAR FORMULA: C11H8N2S
MOLECULAR WEIGHT: 200.25962
SMILES: CC1=NC(=C(C=C1)C2=CC=CS2)C#N
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Product OPENEYE NAME: 2-[3-[methyl(2H-tetrazol-5-yl)amino]propyl]isoindoline-1,3-dione
CAS Name: 2-[3-[methyl(2H-tetrazol-5-yl)amino]propyl]isoindole-1,3-dione
IUPAC NAME: 2-[3-[methyl(2H-tetrazol-5-yl)amino]propyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[3-[methyl(2H-1,2,3,4-tetrazol-5-yl)amino]propyl]isoindole-1,3-dione
MOLECULAR FORMULA: C13H14N6O2
MOLECULAR WEIGHT: 286.28926
SMILES: CN(CCCN1C(=O)C2=CC=CC=C2C1=O)C3=NNN=N3
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