Monday, August 8, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-chloroprop-1-yne
CAS Name: 3-chloro-1-propyne
IUPAC NAME: 3-chloroprop-1-yne
SYSTEMATIC NAME: 3-chloranylprop-1-yne
MOLECULAR FORMULA: C3H3Cl
MOLECULAR WEIGHT: 74.50892
SMILES: C#CCCl
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Product OPENEYE NAME: prop-2-ynal
CAS Name: 2-propynal
IUPAC NAME: prop-2-ynal
SYSTEMATIC NAME: prop-2-ynal
MOLECULAR FORMULA: C3H2O
MOLECULAR WEIGHT: 54.04738
SMILES: C#CC=O
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Product OPENEYE NAME: 1,2-difluoroethane
CAS Name: 1,2-difluoroethane
IUPAC NAME: 1,2-difluoroethane
SYSTEMATIC NAME: 1,2-bis(fluoranyl)ethane
MOLECULAR FORMULA: C2H4F2
MOLECULAR WEIGHT: 66.049966
SMILES: C(CF)F
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Product OPENEYE NAME: 1,2-diiodoethane
CAS Name: 1,2-diiodoethane
IUPAC NAME: 1,2-diiodoethane
SYSTEMATIC NAME: 1,2-bis(iodanyl)ethane
MOLECULAR FORMULA: C2H4I2
MOLECULAR WEIGHT: 281.8621
SMILES: C(CI)I
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Product OPENEYE NAME: 2-iodoethanol
CAS Name: 2-iodoethanol
IUPAC NAME: 2-iodoethanol
SYSTEMATIC NAME: 2-iodanylethanol
MOLECULAR FORMULA: C2H5IO
MOLECULAR WEIGHT: 171.96497
SMILES: C(CI)O
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Product OPENEYE NAME: isocyanoethane
CAS Name: isocyanoethane
IUPAC NAME: isocyanoethane
SYSTEMATIC NAME: isocyanoethane
MOLECULAR FORMULA: C3H5N
MOLECULAR WEIGHT: 55.0785
SMILES: CC[N+]#[C-]
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Product OPENEYE NAME: N'-hydroxyformamidine
CAS Name: N'-hydroxymethanimidamide
IUPAC NAME: N'-hydroxymethanimidamide
SYSTEMATIC NAME: N'-oxidanylmethanimidamide
MOLECULAR FORMULA: CH4N2O
MOLECULAR WEIGHT: 60.05526
SMILES: C(=NO)N
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Product OPENEYE NAME: methylimino(oxo)methane
CAS Name: methylimino(oxo)methane
IUPAC NAME: methylimino(oxo)methane
SYSTEMATIC NAME: methylimino(oxidanylidene)methane
MOLECULAR FORMULA: C2H3NO
MOLECULAR WEIGHT: 57.05132
SMILES: CN=C=O
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Product OPENEYE NAME: formohydrazide
CAS Name: formohydrazide
IUPAC NAME: formohydrazide
SYSTEMATIC NAME: formohydrazide
MOLECULAR FORMULA: CH4N2O
MOLECULAR WEIGHT: 60.05526
SMILES: C(=O)NN
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Product OPENEYE NAME: methylsulfanylethane
CAS Name: (methylthio)ethane
IUPAC NAME: methylsulfanylethane
SYSTEMATIC NAME: methylsulfanylethane
MOLECULAR FORMULA: C3H8S
MOLECULAR WEIGHT: 76.16062
SMILES: CCSC
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