Friday, June 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (1-butylcyclobutyl) acetate
CAS Name: acetic acid (1-butylcyclobutyl) ester
IUPAC NAME: (1-butylcyclobutyl) acetate
SYSTEMATIC NAME: (1-butylcyclobutyl) ethanoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCCC1(CCC1)OC(=O)C
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Product OPENEYE NAME: 7-octoxy-7-phosphoroso-tridecane
CAS Name: 7-octoxy-7-phosphorosotridecane
IUPAC NAME: 7-octoxy-7-phosphorosotridecane
SYSTEMATIC NAME: 7-octoxy-7-phosphoroso-tridecane
MOLECULAR FORMULA: C21H43O2P
MOLECULAR WEIGHT: 358.538681
SMILES: CCCCCCCCOC(CCCCCC)(CCCCCC)P=O
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Product OPENEYE NAME: methanol cyanide
CAS Name: methanol cyanide
IUPAC NAME: methanol cyanide
SYSTEMATIC NAME: methanol cyanide
MOLECULAR FORMULA: C2H4NO-
MOLECULAR WEIGHT: 58.05926
SMILES: CO.[C-]#N
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Product OPENEYE NAME: N,N-bis(2-isopropyl-5-methyl-cyclohexyl)-4-(m-tolylazo)aniline
CAS Name: 4-(3-methylphenyl)azo-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)aniline
IUPAC NAME: 4-[(3-methylphenyl)diazenyl]-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)aniline
SYSTEMATIC NAME: 4-[(3-methylphenyl)diazenyl]-N,N-bis(5-methyl-2-propan-2-yl-cyclohexyl)aniline
MOLECULAR FORMULA: C33H49N3
MOLECULAR WEIGHT: 487.76226
SMILES: CC1CCC(C(C1)N(C2CC(CCC2C(C)C)C)C3=CC=C(C=C3)N=NC4=CC=CC(=C4)C)C(C)C
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Product OPENEYE NAME: N,N-bis(2-isopropyl-5-methyl-cyclohexyl)-4-phenylazo-aniline
CAS Name: N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-4-phenyldiazenylaniline
IUPAC NAME: N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-4-phenyldiazenylaniline
SYSTEMATIC NAME: N,N-bis(5-methyl-2-propan-2-yl-cyclohexyl)-4-phenyldiazenyl-aniline
MOLECULAR FORMULA: C32H47N3
MOLECULAR WEIGHT: 473.73568
SMILES: CC1CCC(C(C1)N(C2CC(CCC2C(C)C)C)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C(C)C
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Product OPENEYE NAME: 6-iminohexanal
CAS Name: 6-iminohexanal
IUPAC NAME: 6-iminohexanal
SYSTEMATIC NAME: 6-azanylidenehexanal
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: C(CCC=O)CC=N
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Product OPENEYE NAME: 2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropyl-[6-amino-2-[[5-amino-4-(2-aminopropanoylamino)-5-oxo-pentanoyl]amino]hexanoyl]amino]propanoic acid
CAS Name: 2-[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propyl-[6-amino-2-[[5-amino-4-[(2-amino-1-oxopropyl)amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]propanoic acid
IUPAC NAME: 2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[6-amino-2-[[5-amino-4-(2-aminopropanoylamino)-5-oxopentanoyl]amino]hexanoyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropyl-[6-azanyl-2-[[5-azanyl-4-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]propanoic acid
MOLECULAR FORMULA: C28H51N7O12
MOLECULAR WEIGHT: 677.74424
SMILES: CC(CN(C(C)C(=O)O)C(=O)C(CCCCN)NC(=O)CCC(C(=O)N)NC(=O)C(C)N)OC1C(C(OC(C1O)CO)O)NC(=O)C
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Product OPENEYE NAME: 4-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxo-pentanoic acid; 2,6-diaminohexanoic acid
CAS Name: 4-[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propyl-(2-amino-1-oxopropyl)amino]-5-amino-5-oxopentanoic acid; 2,6-diaminohexanoic acid
IUPAC NAME: 4-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxopentanoic acid; 2,6-diaminohexanoic acid
SYSTEMATIC NAME: 4-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropyl-(2-azanylpropanoyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid; 2,6-bis(azanyl)hexanoic acid
MOLECULAR FORMULA: C25H48N6O12
MOLECULAR WEIGHT: 624.68162
SMILES: CC(CN(C(CCC(=O)O)C(=O)N)C(=O)C(C)N)OC1C(C(OC(C1O)CO)O)NC(=O)C.C(CCN)CC(C(=O)O)N
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Product OPENEYE NAME: 4-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxo-pentanoic acid
CAS Name: 4-[2-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propyl-(2-amino-1-oxopropyl)amino]-5-amino-5-oxopentanoic acid
IUPAC NAME: 4-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: 4-[2-[5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropyl-(2-azanylpropanoyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H34N4O10
MOLECULAR WEIGHT: 478.49406
SMILES: CC(CN(C(CCC(=O)O)C(=O)N)C(=O)C(C)N)OC1C(C(OC(C1O)CO)O)NC(=O)C
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Product OPENEYE NAME: 4-[2-[5-acetamido-3-acetoxy-2-(acetoxymethyl)-6-hydroxy-tetrahydropyran-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxo-pentanoic acid
CAS Name: 4-[2-[[5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-hydroxy-4-oxanyl]oxy]propyl-(2-amino-1-oxopropyl)amino]-5-amino-5-oxopentanoic acid
IUPAC NAME: 4-[2-[5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-hydroxyoxan-4-yl]oxypropyl-(2-aminopropanoyl)amino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: 4-[2-[5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-oxidanyl-oxan-4-yl]oxypropyl-(2-azanylpropanoyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C23H38N4O12
MOLECULAR WEIGHT: 562.56742
SMILES: CC(CN(C(CCC(=O)O)C(=O)N)C(=O)C(C)N)OC1C(C(OC(C1OC(=O)C)COC(=O)C)O)NC(=O)C
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