Tuesday, July 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(2,5-dimethylpyrrol-2-yl)naphthalen-1-ol
CAS Name: 4-(2,5-dimethyl-2-pyrrolyl)-1-naphthalenol
IUPAC NAME: 4-(2,5-dimethylpyrrol-2-yl)naphthalen-1-ol
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-2-yl)naphthalen-1-ol
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CC1=NC(C=C1)(C)C2=CC=C(C3=CC=CC=C32)O
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Product OPENEYE NAME: 3-anilinonaphthalen-1-ol
CAS Name: 3-anilino-1-naphthalenol
IUPAC NAME: 3-anilinonaphthalen-1-ol
SYSTEMATIC NAME: 3-phenylazanylnaphthalen-1-ol
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C(=C2)O
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Product OPENEYE NAME: chrysene-1,4-diol
CAS Name: chrysene-1,4-diol
IUPAC NAME: chrysene-1,4-diol
SYSTEMATIC NAME: chrysene-1,4-diol
MOLECULAR FORMULA: C18H12O2
MOLECULAR WEIGHT: 260.28668
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C(C=CC(=C34)O)O
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Product OPENEYE NAME: 2,3-dimethyl-1H-pyrrole hydrochloride
CAS Name: 2,3-dimethyl-1H-pyrrole hydrochloride
IUPAC NAME: 2,3-dimethyl-1H-pyrrole hydrochloride
SYSTEMATIC NAME: 2,3-dimethyl-1H-pyrrole hydrochloride
MOLECULAR FORMULA: C6H10ClN
MOLECULAR WEIGHT: 131.6033
SMILES: CC1=C(NC=C1)C.Cl
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Product OPENEYE NAME: 2-methoxyanthracen-1-ol
CAS Name: 2-methoxy-1-anthracenol
IUPAC NAME: 2-methoxyanthracen-1-ol
SYSTEMATIC NAME: 2-methoxyanthracen-1-ol
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: COC1=C(C2=CC3=CC=CC=C3C=C2C=C1)O
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Product OPENEYE NAME: 2-benzylnaphthalene-1,4-diol
CAS Name: 2-(phenylmethyl)naphthalene-1,4-diol
IUPAC NAME: 2-benzylnaphthalene-1,4-diol
SYSTEMATIC NAME: 2-(phenylmethyl)naphthalene-1,4-diol
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=C2)O)O
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Product OPENEYE NAME: 5-hydroxy-8-methoxy-naphthalene-1-carbaldehyde
CAS Name: 5-hydroxy-8-methoxy-1-naphthalenecarboxaldehyde
IUPAC NAME: 5-hydroxy-8-methoxynaphthalene-1-carbaldehyde
SYSTEMATIC NAME: 8-methoxy-5-oxidanyl-naphthalene-1-carbaldehyde
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: COC1=C2C(=C(C=C1)O)C=CC=C2C=O
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Product OPENEYE NAME: cobaltic N'-[2-(2-aminoethylamino)ethyl]-N-(1-butyldodecyl)-N,1-dichloro-ethane-1,2-diamine
CAS Name: N'-[2-(2-aminoethylamino)ethyl]-N,1-dichloro-N-hexadecan-5-ylethane-1,2-diamine; cobalt(3+)
IUPAC NAME: N'-[2-(2-aminoethylamino)ethyl]-N,1-dichloro-N-hexadecan-5-ylethane-1,2-diamine; cobalt(3+)
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]-N,1-bis(chloranyl)-N-hexadecan-5-yl-ethane-1,2-diamine; cobalt(3+)
MOLECULAR FORMULA: C22H48Cl2CoN4+3
MOLECULAR WEIGHT: 498.48252
SMILES: CCCCCCCCCCCC(CCCC)N(C(CNCCNCCN)Cl)Cl.[Co+3]
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Product OPENEYE NAME: N'-[2-(2-aminoethylamino)ethyl]-N-(1-butyldodecyl)-N,1-dichloro-ethane-1,2-diamine
CAS Name: N'-[2-(2-aminoethylamino)ethyl]-N,1-dichloro-N-hexadecan-5-ylethane-1,2-diamine
IUPAC NAME: N'-[2-(2-aminoethylamino)ethyl]-N,1-dichloro-N-hexadecan-5-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-[2-(2-azanylethylamino)ethyl]-N,1-bis(chloranyl)-N-hexadecan-5-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C22H48Cl2N4
MOLECULAR WEIGHT: 439.54932
SMILES: CCCCCCCCCCCC(CCCC)N(C(CNCCNCCN)Cl)Cl
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Product OPENEYE NAME: acetic acid; N1-(2-aminoethyl)octadecane-1,2-diamine
CAS Name: acetic acid; N1-(2-aminoethyl)octadecane-1,2-diamine
IUPAC NAME: acetic acid; 1-N-(2-aminoethyl)octadecane-1,2-diamine
SYSTEMATIC NAME: N1-(2-azanylethyl)octadecane-1,2-diamine; ethanoic acid
MOLECULAR FORMULA: C22H49N3O2
MOLECULAR WEIGHT: 387.64336
SMILES: CCCCCCCCCCCCCCCCC(CNCCN)N.CC(=O)O
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Product OPENEYE NAME: N1-(2-aminoethyl)octadecane-1,2-diamine
CAS Name: N1-(2-aminoethyl)octadecane-1,2-diamine
IUPAC NAME: 1-N-(2-aminoethyl)octadecane-1,2-diamine
SYSTEMATIC NAME: N1-(2-azanylethyl)octadecane-1,2-diamine
MOLECULAR FORMULA: C20H45N3
MOLECULAR WEIGHT: 327.5914
SMILES: CCCCCCCCCCCCCCCCC(CNCCN)N
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Product OPENEYE NAME: N1,N2-bis(2-aminoethyl)octadecane-1,2-diamine
CAS Name: N1,N2-bis(2-aminoethyl)octadecane-1,2-diamine
IUPAC NAME: 1-N,2-N-bis(2-aminoethyl)octadecane-1,2-diamine
SYSTEMATIC NAME: N1,N2-bis(2-azanylethyl)octadecane-1,2-diamine
MOLECULAR FORMULA: C22H50N4
MOLECULAR WEIGHT: 370.6592
SMILES: CCCCCCCCCCCCCCCCC(CNCCN)NCCN
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Product OPENEYE NAME: propane-1,2,3-triamine hydrochloride
CAS Name: propane-1,2,3-triamine hydrochloride
IUPAC NAME: propane-1,2,3-triamine hydrochloride
SYSTEMATIC NAME: propane-1,2,3-triamine hydrochloride
MOLECULAR FORMULA: C3H12ClN3
MOLECULAR WEIGHT: 125.60048
SMILES: C(C(CN)N)N.Cl
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Product OPENEYE NAME: cobaltic propane-1,2,3-triamine
CAS Name: cobalt(3+); propane-1,2,3-triamine
IUPAC NAME: cobalt(3+); propane-1,2,3-triamine
SYSTEMATIC NAME: cobalt(3+); propane-1,2,3-triamine
MOLECULAR FORMULA: C3H11CoN3+3
MOLECULAR WEIGHT: 148.07274
SMILES: C(C(CN)N)N.[Co+3]
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Product OPENEYE NAME: hexane-1,2,3,4,5,6-hexol
CAS Name: hexane-1,2,3,4,5,6-hexol
IUPAC NAME: hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C18H42O18
MOLECULAR WEIGHT: 546.51528
SMILES: C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(CO)O)O)O)O)O.C(C(C(C(C(CO)O)O)O)O)O
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