All Chemical Compounds

Sunday, July 31, 2011

All Chemical Compounds Information

Product OPENEYE NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
CAS Name: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
IUPAC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C15H23N3OS
MOLECULAR WEIGHT: 293.42762
SMILES: CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C
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Product OPENEYE NAME: 2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
CAS Name: 2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
IUPAC NAME: 2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
MOLECULAR FORMULA: C16H32N2O
MOLECULAR WEIGHT: 268.43808
SMILES: CCCCCCCCCCCC1=NCCN1CCO
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Product OPENEYE NAME: 2-heptylcyclopentanone
CAS Name: 2-heptyl-1-cyclopentanone
IUPAC NAME: 2-heptylcyclopentan-1-one
SYSTEMATIC NAME: 2-heptylcyclopentan-1-one
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CCCCCCCC1CCCC1=O
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Product OPENEYE NAME: methyl 2-cyanoprop-2-enoate
CAS Name: 2-cyano-2-propenoic acid methyl ester
IUPAC NAME: methyl 2-cyanoprop-2-enoate
SYSTEMATIC NAME: methyl 2-cyanoprop-2-enoate
MOLECULAR FORMULA: C5H5NO2
MOLECULAR WEIGHT: 111.0987
SMILES: COC(=O)C(=C)C#N
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Product OPENEYE NAME: 2-methylbenzenethiol
CAS Name: 2-methylbenzenethiol
IUPAC NAME: 2-methylbenzenethiol
SYSTEMATIC NAME: 2-methylbenzenethiol
MOLECULAR FORMULA: C7H8S
MOLECULAR WEIGHT: 124.20342
SMILES: CC1=CC=CC=C1S
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Product OPENEYE NAME: 2-aminobenzenethiol
CAS Name: 2-aminobenzenethiol
IUPAC NAME: 2-aminobenzenethiol
SYSTEMATIC NAME: 2-azanylbenzenethiol
MOLECULAR FORMULA: C6H7NS
MOLECULAR WEIGHT: 125.19148
SMILES: C1=CC=C(C(=C1)N)S
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Product OPENEYE NAME: calcium 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate
CAS Name: calcium 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate
IUPAC NAME: calcium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
SYSTEMATIC NAME: calcium 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate
MOLECULAR FORMULA: C18H32CaN2O10
MOLECULAR WEIGHT: 476.53208
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]
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Product OPENEYE NAME: 2,4-diaminophenol dihydrochloride
CAS Name: 2,4-diaminophenol dihydrochloride
IUPAC NAME: 2,4-diaminophenol dihydrochloride
SYSTEMATIC NAME: 2,4-bis(azanyl)phenol dihydrochloride
MOLECULAR FORMULA: C6H10Cl2N2O
MOLECULAR WEIGHT: 197.0624
SMILES: C1=CC(=C(C=C1N)N)O.Cl.Cl
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Product OPENEYE NAME: 2,4,5-trimethylaniline
CAS Name: 2,4,5-trimethylaniline
IUPAC NAME: 2,4,5-trimethylaniline
SYSTEMATIC NAME: 2,4,5-trimethylaniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC(=C(C=C1C)N)C
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Product OPENEYE NAME: 2,5-dimethyl-1,4-benzoquinone
CAS Name: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=CC(=O)C(=CC1=O)C
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Product OPENEYE NAME: strontium 2-hydroxypropanoate
CAS Name: strontium 2-hydroxypropanoate
IUPAC NAME: strontium 2-hydroxypropanoate
SYSTEMATIC NAME: strontium 2-oxidanylpropanoate
MOLECULAR FORMULA: C3H5O3Sr+
MOLECULAR WEIGHT: 176.69
SMILES: CC(C(=O)[O-])O.[Sr+2]
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Product OPENEYE NAME: copper N,N-dimethylcarbamodithioate
CAS Name: copper N,N-dimethylcarbamodithioate
IUPAC NAME: copper N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: copper N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C6H12CuN2S4
MOLECULAR WEIGHT: 303.97888
SMILES: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
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Product OPENEYE NAME: zinc N,N-dimethylcarbamodithioate
CAS Name: zinc N,N-dimethylcarbamodithioate
IUPAC NAME: zinc N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: zinc N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C6H12N2S4Zn
MOLECULAR WEIGHT: 305.84188
SMILES: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]
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Product OPENEYE NAME: 2-methylbutan-1-ol
CAS Name: 2-methyl-1-butanol
IUPAC NAME: 2-methylbutan-1-ol
SYSTEMATIC NAME: 2-methylbutan-1-ol
MOLECULAR FORMULA: C5H12O
MOLECULAR WEIGHT: 88.14818
SMILES: CCC(C)CO
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Product OPENEYE NAME: bromocyclopentane
CAS Name: bromocyclopentane
IUPAC NAME: bromocyclopentane
SYSTEMATIC NAME: bromanylcyclopentane
MOLECULAR FORMULA: C5H9Br
MOLECULAR WEIGHT: 149.02896
SMILES: C1CCC(C1)Br
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Product OPENEYE NAME: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
CAS Name: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
IUPAC NAME: (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoic acid
MOLECULAR FORMULA: C15H11I4NO4
MOLECULAR WEIGHT: 776.87002
SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@H](C(=O)O)N
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Product OPENEYE NAME: [2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethyl] hexadecanoate
CAS Name: hexadecanoic acid [2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethyl] ester
IUPAC NAME: [2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] hexadecanoate
SYSTEMATIC NAME: [2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] hexadecanoate
MOLECULAR FORMULA: C22H38O7
MOLECULAR WEIGHT: 414.53292
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)O
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Product OPENEYE NAME: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine chloride hydrochloride
CAS Name: 5-[(2-methyl-1-pyridin-1-iumyl)methyl]-2-propyl-4-pyrimidinamine chloride hydrochloride
IUPAC NAME: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine chloride hydrochloride
SYSTEMATIC NAME: 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propyl-pyrimidin-4-amine chloride hydrochloride
MOLECULAR FORMULA: C14H20Cl2N4
MOLECULAR WEIGHT: 315.2414
SMILES: CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.Cl.[Cl-]
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Product OPENEYE NAME: bis(2-ethylhexyl) benzene-1,3-dicarboxylate
CAS Name: benzene-1,3-dicarboxylic acid bis(2-ethylhexyl) ester
IUPAC NAME: bis(2-ethylhexyl) benzene-1,3-dicarboxylate
SYSTEMATIC NAME: bis(2-ethylhexyl) benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC
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All Chemical Compounds Information

Product OPENEYE NAME: zinc N,N-dibutylcarbamodithioate
CAS Name: zinc N,N-dibutylcarbamodithioate
IUPAC NAME: zinc N,N-dibutylcarbamodithioate
SYSTEMATIC NAME: zinc N,N-dibutylcarbamodithioate
MOLECULAR FORMULA: C18H36N2S4Zn
MOLECULAR WEIGHT: 474.16084
SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
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Product OPENEYE NAME: dibutylcarbamodithioic acid
CAS Name: dibutylcarbamodithioic acid
IUPAC NAME: dibutylcarbamodithioic acid
SYSTEMATIC NAME: dibutylcarbamodithioic acid
MOLECULAR FORMULA: C9H19NS2
MOLECULAR WEIGHT: 205.38386
SMILES: CCCCN(CCCC)C(=S)S
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Product OPENEYE NAME: 2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate
CAS Name: 2,2-dichloropropanoic acid 2-(2,4,5-trichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate
SYSTEMATIC NAME: 2-[2,4,5-tris(chloranyl)phenoxy]ethyl 2,2-bis(chloranyl)propanoate
MOLECULAR FORMULA: C11H9Cl5O3
MOLECULAR WEIGHT: 366.45236
SMILES: CC(C(=O)OCCOC1=CC(=C(C=C1Cl)Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: N-phenylazoaniline
CAS Name: N-phenyldiazenylaniline
IUPAC NAME: N-phenyldiazenylaniline
SYSTEMATIC NAME: N-phenyldiazenylaniline
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: C1=CC=C(C=C1)NN=NC2=CC=CC=C2
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Product OPENEYE NAME: (3-hydroxyphenyl) benzoate
CAS Name: benzoic acid (3-hydroxyphenyl) ester
IUPAC NAME: (3-hydroxyphenyl) benzoate
SYSTEMATIC NAME: (3-hydroxyphenyl) benzoate
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
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Product OPENEYE NAME: 3-phenylazopyridine-2,6-diamine hydrochloride
CAS Name: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
IUPAC NAME: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
SYSTEMATIC NAME: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride
MOLECULAR FORMULA: C11H12ClN5
MOLECULAR WEIGHT: 249.69948
SMILES: C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl
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Product OPENEYE NAME: 2,3-dihydroxypropyl 4-aminobenzoate
CAS Name: 4-aminobenzoic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl 4-aminobenzoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 4-azanylbenzoate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: C1=CC(=CC=C1C(=O)OCC(CO)O)N
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Product OPENEYE NAME: dipropyl pyridine-2,5-dicarboxylate
CAS Name: pyridine-2,5-dicarboxylic acid dipropyl ester
IUPAC NAME: dipropyl pyridine-2,5-dicarboxylate
SYSTEMATIC NAME: dipropyl pyridine-2,5-dicarboxylate
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
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Product OPENEYE NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
CAS Name: 4-ethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-ethoxybenzoate hydrochloride
MOLECULAR FORMULA: C15H24ClNO3
MOLECULAR WEIGHT: 301.80896
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)OCC.Cl
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
CAS Name: 4-(butylamino)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride
IUPAC NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl
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Product OPENEYE NAME: cobaltous 2-ethylhexanoate
CAS Name: cobalt(2+); 2-ethylhexanoate
IUPAC NAME: cobalt(2+); 2-ethylhexanoate
SYSTEMATIC NAME: cobalt(2+); 2-ethylhexanoate
MOLECULAR FORMULA: C16H30CoO4
MOLECULAR WEIGHT: 345.3402
SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
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Product OPENEYE NAME: 2-ethylhexanoic acid
CAS Name: 2-ethylhexanoic acid
IUPAC NAME: 2-ethylhexanoic acid
SYSTEMATIC NAME: 2-ethylhexanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCC(CC)C(=O)O
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Product OPENEYE NAME: butyl benzoate
CAS Name: benzoic acid butyl ester
IUPAC NAME: butyl benzoate
SYSTEMATIC NAME: butyl benzoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCCCOC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol hydrochloride
CAS Name: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol hydrochloride
IUPAC NAME: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C18H22ClNO5
MOLECULAR WEIGHT: 367.82398
SMILES: CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O.Cl
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate
CAS Name: sulfuric acid 2-(2,4-dichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethyl hydrogen sulfate
MOLECULAR FORMULA: C8H8Cl2O5S
MOLECULAR WEIGHT: 287.11712
SMILES: C1=CC(=C(C=C1Cl)Cl)OCCOS(=O)(=O)O
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Product OPENEYE NAME: 2-ethoxy-5-nitro-aniline
CAS Name: 2-ethoxy-5-nitroaniline
IUPAC NAME: 2-ethoxy-5-nitroaniline
SYSTEMATIC NAME: 2-ethoxy-5-nitro-aniline
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CCOC1=C(C=C(C=C1)[N+](=O)[O-])N
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Product OPENEYE NAME: 2-(2-methylanilino)ethanol
CAS Name: 2-(2-methylanilino)ethanol
IUPAC NAME: 2-(2-methylanilino)ethanol
SYSTEMATIC NAME: 2-[(2-methylphenyl)amino]ethanol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC1=CC=CC=C1NCCO
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Product OPENEYE NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
CAS Name: 1,3-bis(hydroxymethyl)-2-imidazolidinone
IUPAC NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
SYSTEMATIC NAME: 1,3-bis(hydroxymethyl)imidazolidin-2-one
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: C1CN(C(=O)N1CO)CO
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Product OPENEYE NAME: 5-methyl-2H-benzotriazole
CAS Name: 5-methyl-2H-benzotriazole
IUPAC NAME: 5-methyl-2H-benzotriazole
SYSTEMATIC NAME: 5-methyl-2H-benzotriazole
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: CC1=CC2=NNN=C2C=C1
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Product OPENEYE NAME: 1,3-benzothiazol-2-amine
CAS Name: 1,3-benzothiazol-2-amine
IUPAC NAME: 1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC=C2C(=C1)N=C(S2)N
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Product OPENEYE NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
CAS Name: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
IUPAC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
SYSTEMATIC NAME: 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C15H25Cl2N3OS
MOLECULAR WEIGHT: 366.3495
SMILES: CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C.Cl.Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 1-(1-piperidylmethyl)-3-[[1-(1-piperidylmethyl)indol-3-yl]methyl]indole
CAS Name: 1-(1-piperidinylmethyl)-3-[[1-(1-piperidinylmethyl)-3-indolyl]methyl]indole
IUPAC NAME: 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
SYSTEMATIC NAME: 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
MOLECULAR FORMULA: C29H36N4
MOLECULAR WEIGHT: 440.62294
SMILES: C1CCN(CC1)CN2C=C(C3=CC=CC=C32)CC4=CN(C5=CC=CC=C54)CN6CCCCC6
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Product OPENEYE NAME: N,N-dimethyl-N'-(2-pyridyl)-N'-(2-thienylmethyl)ethane-1,2-diamine hydrochloride
CAS Name: N,N-dimethyl-N'-(2-pyridinyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
IUPAC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C14H20ClN3S
MOLECULAR WEIGHT: 297.8467
SMILES: CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl
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Product OPENEYE NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; phosphoric acid
CAS Name: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; phosphoric acid
IUPAC NAME: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; phosphoric acid
SYSTEMATIC NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; phosphoric acid
MOLECULAR FORMULA: C20H28ClNO8P2
MOLECULAR WEIGHT: 507.838742
SMILES: C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.OP(=O)(O)O.OP(=O)(O)O
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Product OPENEYE NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
CAS Name: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
IUPAC NAME: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
SYSTEMATIC NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
MOLECULAR FORMULA: C20H22ClN
MOLECULAR WEIGHT: 311.84838
SMILES: C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
CAS Name: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
IUPAC NAME: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
SYSTEMATIC NAME: disodium 2-[2-hydroxyethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C6H9NNa2O5
MOLECULAR WEIGHT: 221.1189
SMILES: C(CO)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: pentacene
CAS Name: pentacene
IUPAC NAME: pentacene
SYSTEMATIC NAME: pentacene
MOLECULAR FORMULA: C22H14
MOLECULAR WEIGHT: 278.34656
SMILES: C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
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Product OPENEYE NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
CAS Name: 2,7-dimethylacridine-3,6-diamine hydrochloride
IUPAC NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
SYSTEMATIC NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
MOLECULAR FORMULA: C15H16ClN3
MOLECULAR WEIGHT: 273.76064
SMILES: CC1=CC2=CC3=CC(=C(C=C3N=C2C=C1N)N)C.Cl
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Product OPENEYE NAME: disodium 3-hydroxynaphthalene-2,7-disulfonate
CAS Name: disodium 3-hydroxynaphthalene-2,7-disulfonate
IUPAC NAME: disodium 3-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 3-oxidanylnaphthalene-2,7-disulfonate
MOLECULAR FORMULA: C10H6Na2O7S2
MOLECULAR WEIGHT: 348.25998
SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 3-hydroxynaphthalene-2,7-disulfonic acid
CAS Name: 3-hydroxynaphthalene-2,7-disulfonic acid
IUPAC NAME: 3-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 3-oxidanylnaphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C10H8O7S2
MOLECULAR WEIGHT: 304.29632
SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 4-(4-chlorophenyl)aniline
CAS Name: 4-(4-chlorophenyl)aniline
IUPAC NAME: 4-(4-chlorophenyl)aniline
SYSTEMATIC NAME: 4-(4-chlorophenyl)aniline
MOLECULAR FORMULA: C12H10ClN
MOLECULAR WEIGHT: 203.6675
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)N
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Product OPENEYE NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
CAS Name: 1-[4-(4-nitrophenyl)phenyl]ethanone
IUPAC NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-phenyl-4-(4-phenylphenyl)benzene
CAS Name: 1-phenyl-4-(4-phenylphenyl)benzene
IUPAC NAME: 1-phenyl-4-(4-phenylphenyl)benzene
SYSTEMATIC NAME: 1-phenyl-4-(4-phenylphenyl)benzene
MOLECULAR FORMULA: C24H18
MOLECULAR WEIGHT: 306.39972
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (3,4-dimethoxyphenyl)methylhydrazine
CAS Name: (3,4-dimethoxyphenyl)methylhydrazine
IUPAC NAME: (3,4-dimethoxyphenyl)methylhydrazine
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)methyldiazane
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: COC1=C(C=C(C=C1)CNN)OC
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Product OPENEYE NAME: N-phenylnaphthalen-2-amine
CAS Name: N-phenyl-2-naphthalenamine
IUPAC NAME: N-phenylnaphthalen-2-amine
SYSTEMATIC NAME: N-phenylnaphthalen-2-amine
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: sec-butylbenzene
CAS Name: butan-2-ylbenzene
IUPAC NAME: butan-2-ylbenzene
SYSTEMATIC NAME: butan-2-ylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC(C)C1=CC=CC=C1
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Product OPENEYE NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
IUPAC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
SYSTEMATIC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
MOLECULAR FORMULA: C12H16ClN3O2S
MOLECULAR WEIGHT: 301.79234
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]
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Product OPENEYE NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one
IUPAC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C12H16N3O2S+
MOLECULAR WEIGHT: 266.33934
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO
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Product OPENEYE NAME: N1-phenylbenzene-1,2,4-triamine
CAS Name: N1-phenylbenzene-1,2,4-triamine
IUPAC NAME: 1-N-phenylbenzene-1,2,4-triamine
SYSTEMATIC NAME: N1-phenylbenzene-1,2,4-triamine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
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All Chemical Compounds Information

Product OPENEYE NAME: 2-(methylamino)-1-phenyl-propan-1-ol hydrochloride
CAS Name: 2-(methylamino)-1-phenyl-1-propanol hydrochloride
IUPAC NAME: 2-(methylamino)-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 2-(methylamino)-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(C(C1=CC=CC=C1)O)NC.Cl
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Product OPENEYE NAME: (2S)-2-(methylamino)-1-phenyl-propan-1-ol
CAS Name: (2S)-2-(methylamino)-1-phenyl-1-propanol
IUPAC NAME: (2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (2S)-2-(methylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: C[C@@H](C(C1=CC=CC=C1)O)NC
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Product OPENEYE NAME: 1,2-diphenylethane-1,2-dione
CAS Name: 1,2-diphenylethane-1,2-dione
IUPAC NAME: 1,2-diphenylethane-1,2-dione
SYSTEMATIC NAME: 1,2-diphenylethane-1,2-dione
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: phenyl(p-tolyl)methanone
CAS Name: (4-methylphenyl)-phenylmethanone
IUPAC NAME: (4-methylphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-methylphenyl)-phenyl-methanone
MOLECULAR FORMULA: C14H12O
MOLECULAR WEIGHT: 196.24448
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (4-chlorophenyl)-phenyl-methanone
CAS Name: (4-chlorophenyl)-phenylmethanone
IUPAC NAME: (4-chlorophenyl)-phenylmethanone
SYSTEMATIC NAME: (4-chlorophenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H9ClO
MOLECULAR WEIGHT: 216.66296
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: calcium 2-hydroxy-2-phenyl-acetate
CAS Name: calcium 2-hydroxy-2-phenylacetate
IUPAC NAME: calcium 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: calcium 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C16H14CaO6
MOLECULAR WEIGHT: 342.35676
SMILES: C1=CC=C(C=C1)C(C(=O)[O-])O.C1=CC=C(C=C1)C(C(=O)[O-])O.[Ca+2]
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Product OPENEYE NAME: 4-hydroxy-3,5-dimethoxy-benzaldehyde
CAS Name: 4-hydroxy-3,5-dimethoxybenzaldehyde
IUPAC NAME: 4-hydroxy-3,5-dimethoxybenzaldehyde
SYSTEMATIC NAME: 3,5-dimethoxy-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=CC(=CC(=C1O)OC)C=O
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Product OPENEYE NAME: N-(2,3-dimethylphenyl)acetamide
CAS Name: N-(2,3-dimethylphenyl)acetamide
IUPAC NAME: N-(2,3-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=C(C(=CC=C1)NC(=O)C)C
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Product OPENEYE NAME: 1,2-diethylbenzene
CAS Name: 1,2-diethylbenzene
IUPAC NAME: 1,2-diethylbenzene
SYSTEMATIC NAME: 1,2-diethylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=CC=CC=C1CC
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Product OPENEYE NAME: 2-methoxybenzaldehyde
CAS Name: 2-methoxybenzaldehyde
IUPAC NAME: 2-methoxybenzaldehyde
SYSTEMATIC NAME: 2-methoxybenzaldehyde
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: COC1=CC=CC=C1C=O
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Product OPENEYE NAME: 4-chloro-1-(4-chlorophenoxy)-2-nitro-benzene
CAS Name: 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene
IUPAC NAME: 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene
SYSTEMATIC NAME: 4-chloranyl-1-(4-chloranylphenoxy)-2-nitro-benzene
MOLECULAR FORMULA: C12H7Cl2NO3
MOLECULAR WEIGHT: 284.09488
SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-(carboxymethylsulfanyl)benzoic acid
CAS Name: 2-(carboxymethylthio)benzoic acid
IUPAC NAME: 2-(carboxymethylsulfanyl)benzoic acid
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethylsulfanyl)benzoic acid
MOLECULAR FORMULA: C9H8O4S
MOLECULAR WEIGHT: 212.22242
SMILES: C1=CC=C(C(=C1)C(=O)O)SCC(=O)O
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Product OPENEYE NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate
CAS Name: 1,3-bis(1-methyl-6-quinolin-1-iumyl)urea; methyl sulfate
IUPAC NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate
SYSTEMATIC NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea; methyl sulfate
MOLECULAR FORMULA: C23H26N4O9S2
MOLECULAR WEIGHT: 566.60394
SMILES: C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
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Product OPENEYE NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea
CAS Name: 1,3-bis(1-methyl-6-quinolin-1-iumyl)urea
IUPAC NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea
SYSTEMATIC NAME: 1,3-bis(1-methylquinolin-1-ium-6-yl)urea
MOLECULAR FORMULA: C21H20N4O+2
MOLECULAR WEIGHT: 344.4097
SMILES: C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C
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Product OPENEYE NAME: naphthalen-2-ol
CAS Name: 2-naphthalenol
IUPAC NAME: naphthalen-2-ol
SYSTEMATIC NAME: naphthalen-2-ol
MOLECULAR FORMULA: C10H8O
MOLECULAR WEIGHT: 144.16992
SMILES: C1=CC=C2C=C(C=CC2=C1)O
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Product OPENEYE NAME: ammonia; N-hydroxy-N-phenyl-nitrous amide
CAS Name: ammonia; N-hydroxy-N-phenylnitrous amide
IUPAC NAME: azane; N-hydroxy-N-phenylnitrous amide
SYSTEMATIC NAME: azane; N-oxidanyl-N-phenyl-nitrous amide
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: C1=CC=C(C=C1)N(N=O)O.N
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Product OPENEYE NAME: N-hydroxy-N-phenyl-nitrous amide
CAS Name: N-hydroxy-N-phenylnitrous amide
IUPAC NAME: N-hydroxy-N-phenylnitrous amide
SYSTEMATIC NAME: N-oxidanyl-N-phenyl-nitrous amide
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC=C(C=C1)N(N=O)O
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All Chemical Compounds Information

Product OPENEYE NAME: tetrasodium 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonato-propyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate
CAS Name: tetrasodium 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate
IUPAC NAME: tetrasodium 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfonatopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonate
SYSTEMATIC NAME: tetrasodium 1-phenyl-3-[[4-[4-[(3-phenyl-1,3-disulfonato-propyl)amino]phenyl]sulfonylphenyl]amino]propane-1,3-disulfonate
MOLECULAR FORMULA: C30H28N2Na4O14S5
MOLECULAR WEIGHT: 892.8324
SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(CC(C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfo-propyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid
CAS Name: 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid
IUPAC NAME: 1-phenyl-3-[4-[4-[(3-phenyl-1,3-disulfopropyl)amino]phenyl]sulfonylanilino]propane-1,3-disulfonic acid
SYSTEMATIC NAME: 1-phenyl-3-[[4-[4-[(3-phenyl-1,3-disulfo-propyl)amino]phenyl]sulfonylphenyl]amino]propane-1,3-disulfonic acid
MOLECULAR FORMULA: C30H32N2O14S5
MOLECULAR WEIGHT: 804.90508
SMILES: C1=CC=C(C=C1)C(CC(NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(CC(C4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 2-amino-5-chloro-benzenesulfonic acid
CAS Name: 2-amino-5-chlorobenzenesulfonic acid
IUPAC NAME: 2-amino-5-chlorobenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-5-chloranyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6ClNO3S
MOLECULAR WEIGHT: 207.63474
SMILES: C1=CC(=C(C=C1Cl)S(=O)(=O)O)N
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C15H24N2O17P2
MOLECULAR WEIGHT: 566.301782
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
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Product OPENEYE NAME: 3-amino-2,5-dichloro-benzoic acid
CAS Name: 3-amino-2,5-dichlorobenzoic acid
IUPAC NAME: 3-amino-2,5-dichlorobenzoic acid
SYSTEMATIC NAME: 3-azanyl-2,5-bis(chloranyl)benzoic acid
MOLECULAR FORMULA: C7H5Cl2NO2
MOLECULAR WEIGHT: 206.0261
SMILES: C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl
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Product OPENEYE NAME: 2-hydroxy-3,5-diiodo-benzoic acid
CAS Name: 2-hydroxy-3,5-diiodobenzoic acid
IUPAC NAME: 2-hydroxy-3,5-diiodobenzoic acid
SYSTEMATIC NAME: 3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4I2O3
MOLECULAR WEIGHT: 389.9138
SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I
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Product OPENEYE NAME: (4-benzoyloxy-2,5-dioxo-3-furyl) benzoate
CAS Name: benzoic acid (4-benzoyloxy-2,5-dioxo-3-furanyl) ester
IUPAC NAME: (4-benzoyloxy-2,5-dioxofuran-3-yl) benzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)-4-(phenylcarbonyloxy)furan-3-yl] benzoate
MOLECULAR FORMULA: C18H10O7
MOLECULAR WEIGHT: 338.2678
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C(=O)OC2=O)OC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2-isopropyl-5-methyl-cyclohexyl) 2-aminobenzoate
CAS Name: 2-aminobenzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester
IUPAC NAME: (5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-cyclohexyl) 2-azanylbenzoate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CC1CCC(C(C1)OC(=O)C2=CC=CC=C2N)C(C)C
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Product OPENEYE NAME: 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one; 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
CAS Name: 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone; 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
IUPAC NAME: 2-(1,2-dihydroxyethyl)-4,5-dihydroxyfuran-3-one; 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 4-[2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C15H21NO9
MOLECULAR WEIGHT: 359.32854
SMILES: CNCC(C1=CC(=C(C=C1)O)O)O.C(C(C1C(=O)C(=C(O1)O)O)O)O
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Product OPENEYE NAME: methyl 2-aminobenzoate
CAS Name: 2-aminobenzoic acid methyl ester
IUPAC NAME: methyl 2-aminobenzoate
SYSTEMATIC NAME: methyl 2-azanylbenzoate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: COC(=O)C1=CC=CC=C1N
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Product OPENEYE NAME: 2,4-dichloro-1-(dichloromethyl)benzene
CAS Name: 2,4-dichloro-1-(dichloromethyl)benzene
IUPAC NAME: 2,4-dichloro-1-(dichloromethyl)benzene
SYSTEMATIC NAME: 1-[bis(chloranyl)methyl]-2,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C7H4Cl4
MOLECULAR WEIGHT: 229.91866
SMILES: C1=CC(=C(C=C1Cl)Cl)C(Cl)Cl
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Product OPENEYE NAME: 2-methoxyaniline hydrochloride
CAS Name: 2-methoxyaniline hydrochloride
IUPAC NAME: 2-methoxyaniline hydrochloride
SYSTEMATIC NAME: 2-methoxyaniline hydrochloride
MOLECULAR FORMULA: C7H10ClNO
MOLECULAR WEIGHT: 159.6134
SMILES: COC1=CC=CC=C1N.Cl
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Product OPENEYE NAME: quinolin-1-ium-8-ol sulfate
CAS Name: 8-quinolin-1-iumol sulfate
IUPAC NAME: quinolin-1-ium-8-ol sulfate
SYSTEMATIC NAME: quinolin-1-ium-8-ol sulfate
MOLECULAR FORMULA: C18H16N2O6S
MOLECULAR WEIGHT: 388.39444
SMILES: C1=CC2=C(C(=C1)O)[NH+]=CC=C2.C1=CC2=C(C(=C1)O)[NH+]=CC=C2.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: naphthalen-1-amine
CAS Name: 1-naphthalenamine
IUPAC NAME: naphthalen-1-amine
SYSTEMATIC NAME: naphthalen-1-amine
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C1=CC=C2C(=C1)C=CC=C2N
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Product OPENEYE NAME: 1-(3-aminophenyl)pyridin-2-one
CAS Name: 1-(3-aminophenyl)-2-pyridinone
IUPAC NAME: 1-(3-aminophenyl)pyridin-2-one
SYSTEMATIC NAME: 1-(3-aminophenyl)pyridin-2-one
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC(=O)N(C=C1)C2=CC(=CC=C2)N
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Product OPENEYE NAME: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H12FN2O8P
MOLECULAR WEIGHT: 326.172344
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O
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Product OPENEYE NAME: acridin-9-amine hydrochloride
CAS Name: 9-acridinamine hydrochloride
IUPAC NAME: acridin-9-amine hydrochloride
SYSTEMATIC NAME: acridin-9-amine hydrochloride
MOLECULAR FORMULA: C13H11ClN2
MOLECULAR WEIGHT: 230.69284
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.Cl
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Product OPENEYE NAME: [3-(diethylamino)-2,2-dimethyl-propyl] 3-hydroxy-2-phenyl-propanoate; phosphoric acid
CAS Name: 3-hydroxy-2-phenylpropanoic acid [3-(diethylamino)-2,2-dimethylpropyl] ester; phosphoric acid
IUPAC NAME: [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate; phosphoric acid
SYSTEMATIC NAME: [3-(diethylamino)-2,2-dimethyl-propyl] 3-oxidanyl-2-phenyl-propanoate; phosphoric acid
MOLECULAR FORMULA: C18H32NO7P
MOLECULAR WEIGHT: 405.422941
SMILES: CCN(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1.OP(=O)(O)O
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Product OPENEYE NAME: [3-(diethylamino)-2,2-dimethyl-propyl] 3-hydroxy-2-phenyl-propanoate
CAS Name: 3-hydroxy-2-phenylpropanoic acid [3-(diethylamino)-2,2-dimethylpropyl] ester
IUPAC NAME: [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate
SYSTEMATIC NAME: [3-(diethylamino)-2,2-dimethyl-propyl] 3-oxidanyl-2-phenyl-propanoate
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CCN(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1
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Product OPENEYE NAME: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
CAS Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
IUPAC NAME: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanyl-2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C4H4N6O
MOLECULAR WEIGHT: 152.11416
SMILES: C12=NNNC1=NC(=NC2=O)N
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All Chemical Compounds Information

Product OPENEYE NAME: 2-(diethylamino)ethyl 4-amino-2-chloro-benzoate
CAS Name: 4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-azanyl-2-chloranyl-benzoate
MOLECULAR FORMULA: C13H19ClN2O2
MOLECULAR WEIGHT: 270.75516
SMILES: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl
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Product OPENEYE NAME: 2-[(2-iodobenzoyl)amino]acetic acid
CAS Name: 2-[[(2-iodophenyl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(2-iodobenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-iodanylphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H8INO3
MOLECULAR WEIGHT: 305.06919
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)I
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Product OPENEYE NAME: 2-phenylethyl 2-aminobenzoate
CAS Name: 2-aminobenzoic acid 2-phenylethyl ester
IUPAC NAME: 2-phenylethyl 2-aminobenzoate
SYSTEMATIC NAME: 2-phenylethyl 2-azanylbenzoate
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N
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Product OPENEYE NAME: 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
CAS Name: 3-methoxy-2-propan-2-yl-7-furo[3,2-g][1]benzopyranone
IUPAC NAME: 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 3-methoxy-2-propan-2-yl-furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC
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Product OPENEYE NAME: 4-(1H-indol-3-yl)butanoic acid
CAS Name: 4-(1H-indol-3-yl)butanoic acid
IUPAC NAME: 4-(1H-indol-3-yl)butanoic acid
SYSTEMATIC NAME: 4-(1H-indol-3-yl)butanoic acid
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
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Product OPENEYE NAME: 3,4,4-trihydroxy-2-oxo-but-3-enoic acid
CAS Name: 3,4,4-trihydroxy-2-oxo-3-butenoic acid
IUPAC NAME: 3,4,4-trihydroxy-2-oxobut-3-enoic acid
SYSTEMATIC NAME: 3,4,4-tris(oxidanyl)-2-oxidanylidene-but-3-enoic acid
MOLECULAR FORMULA: C4H4O6
MOLECULAR WEIGHT: 148.07096
SMILES: C(=C(O)O)(C(=O)C(=O)O)O
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Product OPENEYE NAME: methyl 3,4-dihydroxy-4-methoxy-2-oxo-but-3-enoate
CAS Name: 3,4-dihydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester
IUPAC NAME: methyl 3,4-dihydroxy-4-methoxy-2-oxobut-3-enoate
SYSTEMATIC NAME: methyl 4-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-but-3-enoate
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: COC(=C(C(=O)C(=O)OC)O)O
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Product OPENEYE NAME: 2,3,4,5,6-pentachlorobenzenethiol
CAS Name: 2,3,4,5,6-pentachlorobenzenethiol
IUPAC NAME: 2,3,4,5,6-pentachlorobenzenethiol
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(chloranyl)benzenethiol
MOLECULAR FORMULA: C6HCl5S
MOLECULAR WEIGHT: 282.40214
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S
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Product OPENEYE NAME: 2,4-dichloro-3,5-dimethyl-phenol
CAS Name: 2,4-dichloro-3,5-dimethylphenol
IUPAC NAME: 2,4-dichloro-3,5-dimethylphenol
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3,5-dimethyl-phenol
MOLECULAR FORMULA: C8H8Cl2O
MOLECULAR WEIGHT: 191.05452
SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O
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Product OPENEYE NAME: (2-hydroxy-3-methyl-6-nitro-phenyl)mercury
CAS Name: (2-hydroxy-3-methyl-6-nitrophenyl)mercury
IUPAC NAME: (2-hydroxy-3-methyl-6-nitrophenyl)mercury
SYSTEMATIC NAME: (3-methyl-6-nitro-2-oxidanyl-phenyl)mercury
MOLECULAR FORMULA: C7H6HgNO3
MOLECULAR WEIGHT: 352.71744
SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])[Hg])O
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Product OPENEYE NAME: 2-methylbenzenesulfonyl chloride
CAS Name: 2-methylbenzenesulfonyl chloride
IUPAC NAME: 2-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 2-methylbenzenesulfonyl chloride
MOLECULAR FORMULA: C7H7ClO2S
MOLECULAR WEIGHT: 190.64728
SMILES: CC1=CC=CC=C1S(=O)(=O)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: [2,5-dioxo-4-(2-phenylacetyl)oxy-3-furyl] 2-phenylacetate
CAS Name: 2-phenylacetic acid [2,5-dioxo-4-(1-oxo-2-phenylethoxy)-3-furanyl] ester
IUPAC NAME: [2,5-dioxo-4-(2-phenylacetyl)oxyfuran-3-yl] 2-phenylacetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)-4-(2-phenylethanoyloxy)furan-3-yl] 2-phenylethanoate
MOLECULAR FORMULA: C20H14O7
MOLECULAR WEIGHT: 366.32096
SMILES: C1=CC=C(C=C1)CC(=O)OC2=C(C(=O)OC2=O)OC(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: (4-butanoyloxy-2,5-dioxo-3-furyl) butanoate
CAS Name: butanoic acid [2,5-dioxo-4-(1-oxobutoxy)-3-furanyl] ester
IUPAC NAME: (4-butanoyloxy-2,5-dioxofuran-3-yl) butanoate
SYSTEMATIC NAME: [4-butanoyloxy-2,5-bis(oxidanylidene)furan-3-yl] butanoate
MOLECULAR FORMULA: C12H14O7
MOLECULAR WEIGHT: 270.23536
SMILES: CCCC(=O)OC1=C(C(=O)OC1=O)OC(=O)CCC
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Product OPENEYE NAME: naphthalene-1,3-diol
CAS Name: naphthalene-1,3-diol
IUPAC NAME: naphthalene-1,3-diol
SYSTEMATIC NAME: naphthalene-1,3-diol
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1=CC=C2C(=C1)C=C(C=C2O)O
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Product OPENEYE NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
CAS Name: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
IUPAC NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: C1=CC=C2C(=C1)C(=O)NC(O2)CCCl
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Product OPENEYE NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-1-oxo-2-phenoxypropyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H20N2O5S
MOLECULAR WEIGHT: 364.4161
SMILES: C[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
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Product OPENEYE NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS Name: 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C9H8Cl3NO2S
MOLECULAR WEIGHT: 300.58932
SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-(trichloromethylsulfanyl)isoindoline-1,3-dione
CAS Name: 2-(trichloromethylthio)isoindole-1,3-dione
IUPAC NAME: 2-(trichloromethylsulfanyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(trichloromethylsulfanyl)isoindole-1,3-dione
MOLECULAR FORMULA: C9H4Cl3NO2S
MOLECULAR WEIGHT: 296.55756
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: phenyl 4-amino-2-hydroxy-benzoate
CAS Name: 4-amino-2-hydroxybenzoic acid phenyl ester
IUPAC NAME: phenyl 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: phenyl 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O
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Product OPENEYE NAME: diethyl 2-ethylpropanedioate
CAS Name: 2-ethylpropanedioic acid diethyl ester
IUPAC NAME: diethyl 2-ethylpropanedioate
SYSTEMATIC NAME: diethyl 2-ethylpropanedioate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCC(C(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: calcium 4-amino-2-hydroxy-benzoate
CAS Name: calcium 4-amino-2-hydroxybenzoate
IUPAC NAME: calcium 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: calcium 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C7H6CaNO3+
MOLECULAR WEIGHT: 192.20544
SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].[Ca+2]
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