CAS RN: 13726-84-6
CAS Name: (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-5-tert-butoxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C14H25NO6
MOLECULAR WEIGHT: 303.3514
SMILES: CC(C)(C)OC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 13991-37-2
CAS Name: (E)-2-pentenoate
OPENEYE Name: (E)-pent-2-enoate
IUPAC Name: (E)-pent-2-enoate
SYSTEMATIC NAME: (E)-pent-2-enoate
MOLECULAR FORMULA: C5H7O2-
MOLECULAR WEIGHT: 99.10788
SMILES: CC/C=C/C(=O)[O-]
Structure:
CAS RN: 6217-68-1
CAS Name: (4-nitrophenyl) sulfate
OPENEYE Name: (4-nitrophenyl) sulfate
IUPAC Name: (4-nitrophenyl) sulfate
SYSTEMATIC NAME: (4-nitrophenyl) sulfate
MOLECULAR FORMULA: C6H4NO6S-
MOLECULAR WEIGHT: 218.16406
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)[O-]
Structure:
CAS RN: 3844-53-9
CAS Name: [(2S)-6-ammonio-1-ethoxy-1-oxohexan-2-yl]ammonium
OPENEYE Name: [(1S)-5-azaniumyl-1-ethoxycarbonyl-pentyl]ammonium
IUPAC Name: [(2S)-6-azaniumyl-1-ethoxy-1-oxohexan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-6-azaniumyl-1-ethoxy-1-oxidanylidene-hexan-2-yl]azanium
MOLECULAR FORMULA: C8H20N2O2+2
MOLECULAR WEIGHT: 176.2566
SMILES: CCOC(=O)[C@H](CCCC[NH3+])[NH3+]
Structure:
CAS RN: 55755-17-4
CAS Name: 2-(3-methylphenyl)ethylammonium
OPENEYE Name: 2-(m-tolyl)ethylammonium
IUPAC Name: 2-(3-methylphenyl)ethylazanium
SYSTEMATIC NAME: 2-(3-methylphenyl)ethylazanium
MOLECULAR FORMULA: C9H14N+
MOLECULAR WEIGHT: 136.21416
SMILES: CC1=CC(=CC=C1)CC[NH3+]
Structure:
CAS RN: 20971-06-6
CAS Name: (2R,3R,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol
OPENEYE Name: (2R,3R,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol
IUPAC Name: (2R,3R,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (2R,3R,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C6H13NO7
MOLECULAR WEIGHT: 211.16992
SMILES: C([C@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)[N+](=O)[O-]
Structure:
CAS RN: 23359-08-2
CAS Name: (E)-3-(4-formylphenyl)-2-propenoate
OPENEYE Name: (E)-3-(4-formylphenyl)prop-2-enoate
IUPAC Name: (E)-3-(4-formylphenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(4-methanoylphenyl)prop-2-enoate
MOLECULAR FORMULA: C10H7O3-
MOLECULAR WEIGHT: 175.16078
SMILES: C1=CC(=CC=C1/C=C/C(=O)[O-])C=O
Structure:
CAS RN: 26177-43-5
CAS Name: (3-nitrophenyl)methylammonium
OPENEYE Name: (3-nitrophenyl)methylammonium
IUPAC Name: (3-nitrophenyl)methylazanium
SYSTEMATIC NAME: (3-nitrophenyl)methylazanium
MOLECULAR FORMULA: C7H9N2O2+
MOLECULAR WEIGHT: 153.15856
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C[NH3+]
Structure:
CAS RN: 2419-34-3
CAS Name: (2S)-5-amino-5-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanoate
OPENEYE Name: (2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
IUPAC Name: (2S)-5-amino-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
SYSTEMATIC NAME: (2S)-5-azanyl-5-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanoate
MOLECULAR FORMULA: C7H8F3N2O4-
MOLECULAR WEIGHT: 241.14463
SMILES: C(CC(=O)N)[C@@H](C(=O)[O-])NC(=O)C(F)(F)F
Structure:
CAS RN: 31350-88-6
CAS Name: (2R,3R,4S)-3,4-dimethyl-2-hexanol
OPENEYE Name: (2R,3R,4S)-3,4-dimethylhexan-2-ol
IUPAC Name: (2R,3R,4S)-3,4-dimethylhexan-2-ol
SYSTEMATIC NAME: (2R,3R,4S)-3,4-dimethylhexan-2-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CC[C@H](C)[C@@H](C)[C@@H](C)O
Structure:
CAS RN: 73708-65-3
CAS Name: 1,3-dihydroxypropan-2-ylammonium
OPENEYE Name: [2-hydroxy-1-(hydroxymethyl)ethyl]ammonium
IUPAC Name: 1,3-dihydroxypropan-2-ylazanium
SYSTEMATIC NAME: 1,3-bis(oxidanyl)propan-2-ylazanium
MOLECULAR FORMULA: C3H10NO2+
MOLECULAR WEIGHT: 92.117
SMILES: C(C(CO)[NH3+])O
Structure:
CAS RN: 15960-05-1
CAS Name: (2S)-2-ammonio-4,4,4-trifluorobutanoate
OPENEYE Name: (2S)-2-azaniumyl-4,4,4-trifluoro-butanoate
IUPAC Name: (2S)-2-azaniumyl-4,4,4-trifluorobutanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-4,4,4-tris(fluoranyl)butanoate
MOLECULAR FORMULA: C4H6F3NO2
MOLECULAR WEIGHT: 157.09115
SMILES: C([C@@H](C(=O)[O-])[NH3+])C(F)(F)F
Structure:
CAS RN: 24835-08-3
CAS Name: (2-nitrophenyl)methylammonium
OPENEYE Name: (2-nitrophenyl)methylammonium
IUPAC Name: (2-nitrophenyl)methylazanium
SYSTEMATIC NAME: (2-nitrophenyl)methylazanium
MOLECULAR FORMULA: C7H9N2O2+
MOLECULAR WEIGHT: 153.15856
SMILES: C1=CC=C(C(=C1)C[NH3+])[N+](=O)[O-]
Structure:
CAS RN: 32923-88-9
CAS Name: 3-(2-methylpropoxy)propylammonium
OPENEYE Name: 3-isobutoxypropylammonium
IUPAC Name: 3-(2-methylpropoxy)propylazanium
SYSTEMATIC NAME: 3-(2-methylpropoxy)propylazanium
MOLECULAR FORMULA: C7H18NO+
MOLECULAR WEIGHT: 132.22392
SMILES: CC(C)COCCC[NH3+]
Structure:
CAS RN: 43189-32-8
CAS Name: [(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]ammonium
OPENEYE Name: [(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]ammonium
IUPAC Name: [(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium
SYSTEMATIC NAME: [(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium
MOLECULAR FORMULA: C6H14NO2S+
MOLECULAR WEIGHT: 164.24586
SMILES: COC(=O)[C@@H](CCSC)[NH3+]
Structure:
CAS RN: 19689-66-8
CAS Name: 3,4-dimethoxybenzenethiolate
OPENEYE Name: 3,4-dimethoxybenzenethiolate
IUPAC Name: 3,4-dimethoxybenzenethiolate
SYSTEMATIC NAME: 3,4-dimethoxybenzenethiolate
MOLECULAR FORMULA: C8H9O2S-
MOLECULAR WEIGHT: 169.22086
SMILES: COC1=C(C=C(C=C1)[S-])OC
Structure:
CAS RN: 10572-16-4
CAS Name: 3-(4-nitrophenoxy)propanoate
OPENEYE Name: 3-(4-nitrophenoxy)propanoate
IUPAC Name: 3-(4-nitrophenoxy)propanoate
SYSTEMATIC NAME: 3-(4-nitrophenoxy)propanoate
MOLECULAR FORMULA: C9H8NO5-
MOLECULAR WEIGHT: 210.16352
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCC(=O)[O-]
Structure:
CAS RN: 39577-43-0
CAS Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-4-ium
OPENEYE Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-4-ium
IUPAC Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazin-4-ium
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-4-(3-chlorophenyl)piperazin-1-ium
MOLECULAR FORMULA: C13H19Cl2N2+
MOLECULAR WEIGHT: 274.20936
SMILES: C1CN(CC[NH+]1CCCCl)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 89-64-5
CAS Name: 4-chloro-2-nitrophenolate
OPENEYE Name: 4-chloro-2-nitro-phenolate
IUPAC Name: 4-chloro-2-nitrophenolate
SYSTEMATIC NAME: 4-chloranyl-2-nitro-phenolate
MOLECULAR FORMULA: C6H3ClNO3-
MOLECULAR WEIGHT: 172.54592
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])[O-]
Structure:
CAS RN: 76935-65-4
CAS Name: 2-(2,4,6-trimethylphenyl)ethylammonium
OPENEYE Name: 2-(2,4,6-trimethylphenyl)ethylammonium
IUPAC Name: 2-(2,4,6-trimethylphenyl)ethylazanium
SYSTEMATIC NAME: 2-(2,4,6-trimethylphenyl)ethylazanium
MOLECULAR FORMULA: C11H18N+
MOLECULAR WEIGHT: 164.26732
SMILES: CC1=CC(=C(C(=C1)C)CC[NH3+])C
Structure:
CAS RN: 99295-81-5
CAS Name: (2R)-2-amino-3-cyclopentylpropanoic acid
OPENEYE Name: (2R)-2-amino-3-cyclopentyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-cyclopentylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-cyclopentyl-propanoic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CCC(C1)C[C@H](C(=O)O)N
Structure:
CAS RN: 15763-57-2
CAS Name: 2,5-dihydroxybenzene-1,4-disulfonate
OPENEYE Name: 2,5-dihydroxybenzene-1,4-disulfonate
IUPAC Name: 2,5-dihydroxybenzene-1,4-disulfonate
SYSTEMATIC NAME: 2,5-bis(oxidanyl)benzene-1,4-disulfonate
MOLECULAR FORMULA: C6H4O8S2-2
MOLECULAR WEIGHT: 268.22116
SMILES: C1=C(C(=CC(=C1S(=O)(=O)[O-])O)S(=O)(=O)[O-])O
Structure:
CAS RN: 214290-37-6
CAS Name: tripentylammonium
OPENEYE Name: tripentylammonium
IUPAC Name: tripentylazanium
SYSTEMATIC NAME: tripentylazanium
MOLECULAR FORMULA: C15H34N+
MOLECULAR WEIGHT: 228.43716
SMILES: CCCCC[NH+](CCCCC)CCCCC
Structure:
CAS RN: 75243-12-8
CAS Name: 2-[(2,4-dimethylphenyl)thio]acetate
OPENEYE Name: 2-(2,4-dimethylphenyl)sulfanylacetate
IUPAC Name: 2-(2,4-dimethylphenyl)sulfanylacetate
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)sulfanylethanoate
MOLECULAR FORMULA: C10H11O2S-
MOLECULAR WEIGHT: 195.25814
SMILES: CC1=CC(=C(C=C1)SCC(=O)[O-])C
Structure:
CAS RN: 36615-45-9
CAS Name: (3S)-3-hydroxy-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (3S)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: methyl (3S)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: methyl (3S)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC(=O)C[C@@H](C1=CC=CC=C1)O
Structure:
CAS RN: 1947-00-8
CAS Name: 6-(phenylmethoxycarbonylamino)hexanoate
OPENEYE Name: 6-(benzyloxycarbonylamino)hexanoate
IUPAC Name: 6-(phenylmethoxycarbonylamino)hexanoate
SYSTEMATIC NAME: 6-(phenylmethoxycarbonylamino)hexanoate
MOLECULAR FORMULA: C14H18NO4-
MOLECULAR WEIGHT: 264.29702
SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)[O-]
Structure:
CAS RN: 35051-49-1
CAS Name: (2R)-2-diethoxyphosphorylpentanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-diethoxyphosphorylpentanoate
IUPAC Name: ethyl (2R)-2-diethoxyphosphorylpentanoate
SYSTEMATIC NAME: ethyl (2R)-2-diethoxyphosphorylpentanoate
MOLECULAR FORMULA: C11H23O5P
MOLECULAR WEIGHT: 266.271081
SMILES: CCC[C@H](C(=O)OCC)P(=O)(OCC)OCC
Structure:
CAS RN: 5430-01-3
CAS Name: (3R)-3-methyl-1-nonyn-3-ol
OPENEYE Name: (3R)-3-methylnon-1-yn-3-ol
IUPAC Name: (3R)-3-methylnon-1-yn-3-ol
SYSTEMATIC NAME: (3R)-3-methylnon-1-yn-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCCC[C@](C)(C#C)O
Structure:
CAS RN: 7512-45-0
CAS Name: 2-[[1-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]amino]acetate
OPENEYE Name: 2-[[2-(benzylsulfonylamino)acetyl]amino]acetate
IUPAC Name: 2-[[2-(benzylsulfonylamino)acetyl]amino]acetate
SYSTEMATIC NAME: 2-[2-[(phenylmethyl)sulfonylamino]ethanoylamino]ethanoate
MOLECULAR FORMULA: C11H13N2O5S-
MOLECULAR WEIGHT: 285.29632
SMILES: C1=CC=C(C=C1)CS(=O)(=O)NCC(=O)NCC(=O)[O-]
Structure:
CAS RN: 7465-13-6
CAS Name: 4-(2-acetamidoethyl)benzoate
OPENEYE Name: 4-(2-acetamidoethyl)benzoate
IUPAC Name: 4-(2-acetamidoethyl)benzoate
SYSTEMATIC NAME: 4-(2-acetamidoethyl)benzoate
MOLECULAR FORMULA: C11H12NO3-
MOLECULAR WEIGHT: 206.21788
SMILES: CC(=O)NCCC1=CC=C(C=C1)C(=O)[O-]
Structure:
CAS RN: 17145-91-4
CAS Name: (2R)-2-diethoxyphosphorylbutanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-diethoxyphosphorylbutanoate
IUPAC Name: ethyl (2R)-2-diethoxyphosphorylbutanoate
SYSTEMATIC NAME: ethyl (2R)-2-diethoxyphosphorylbutanoate
MOLECULAR FORMULA: C10H21O5P
MOLECULAR WEIGHT: 252.244501
SMILES: CC[C@H](C(=O)OCC)P(=O)(OCC)OCC
Structure:
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