CAS RN: 4605-14-5
CAS Name: 3-ammoniopropyl-[3-(3-ammoniopropylammonio)propyl]ammonium
OPENEYE Name: 3-azaniumylpropyl-[3-(3-azaniumylpropylammonio)propyl]ammonium
IUPAC Name: 3-azaniumylpropyl-[3-(3-azaniumylpropylazaniumyl)propyl]azanium
SYSTEMATIC NAME: 3-azaniumylpropyl-[3-(3-azaniumylpropylazaniumyl)propyl]azanium
MOLECULAR FORMULA: C9H28N4+4
MOLECULAR WEIGHT: 192.34542
SMILES: C(C[NH3+])C[NH2+]CCC[NH2+]CCC[NH3+]
Structure:
CAS RN: 5617-92-5
CAS Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
OPENEYE Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
IUPAC Name: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
SYSTEMATIC NAME: [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C[C@@H]1[C@@H](C1(C)C)CO)C
Structure:
CAS RN: 5617-92-5
CAS Name: [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
OPENEYE Name: [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
IUPAC Name: [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
SYSTEMATIC NAME: [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C[C@H]1[C@@H](C1(C)C)CO)C
Structure:
CAS RN: 5617-92-5
CAS Name: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
OPENEYE Name: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
IUPAC Name: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
SYSTEMATIC NAME: [(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C[C@H]1[C@H](C1(C)C)CO)C
Structure:
CAS RN: 23764-31-0
CAS Name: 3-ammoniopropyl(propyl)ammonium
OPENEYE Name: 3-azaniumylpropyl(propyl)ammonium
IUPAC Name: 3-azaniumylpropyl(propyl)azanium
SYSTEMATIC NAME: 3-azaniumylpropyl(propyl)azanium
MOLECULAR FORMULA: C6H18N2+2
MOLECULAR WEIGHT: 118.22052
SMILES: CCC[NH2+]CCC[NH3+]
Structure:
CAS RN: 14603-76-0
CAS Name: (2R)-2-ammonio-2-methylbutanedioate
OPENEYE Name: (2R)-2-azaniumyl-2-methyl-butanedioate
IUPAC Name: (2R)-2-azaniumyl-2-methylbutanedioate
SYSTEMATIC NAME: (2R)-2-azaniumyl-2-methyl-butanedioate
MOLECULAR FORMULA: C5H8NO4-
MOLECULAR WEIGHT: 146.12132
SMILES: C[C@@](CC(=O)[O-])(C(=O)[O-])[NH3+]
Structure:
CAS RN: 39111-94-9
CAS Name: 3-(2-quinolinyl)propanoate
OPENEYE Name: 3-(2-quinolyl)propanoate
IUPAC Name: 3-quinolin-2-ylpropanoate
SYSTEMATIC NAME: 3-quinolin-2-ylpropanoate
MOLECULAR FORMULA: C12H10NO2-
MOLECULAR WEIGHT: 200.2133
SMILES: C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)[O-]
Structure:
CAS RN: 114872-98-9
CAS Name: (2R)-2-amino-3-(2,4-dichlorophenyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2,4-dichlorophenyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(2,4-dichlorophenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2,4-dichlorophenyl)propanoic acid
MOLECULAR FORMULA: C9H9Cl2NO2
MOLECULAR WEIGHT: 234.07926
SMILES: C1=CC(=C(C=C1Cl)Cl)C[C@H](C(=O)O)N
Structure:
CAS RN: 36157-41-2
CAS Name: 2,5-dichloro-3-thiophenecarboxylate
OPENEYE Name: 2,5-dichlorothiophene-3-carboxylate
IUPAC Name: 2,5-dichlorothiophene-3-carboxylate
SYSTEMATIC NAME: 2,5-bis(chloranyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C5HCl2O2S-
MOLECULAR WEIGHT: 196.03124
SMILES: C1=C(SC(=C1C(=O)[O-])Cl)Cl
Structure:
CAS RN: 1125-99-1
CAS Name: 1-(1-cyclohexenyl)pyrrolidin-1-ium
OPENEYE Name: 1-(cyclohexen-1-yl)pyrrolidin-1-ium
IUPAC Name: 1-(cyclohexen-1-yl)pyrrolidin-1-ium
SYSTEMATIC NAME: 1-(cyclohexen-1-yl)pyrrolidin-1-ium
MOLECULAR FORMULA: C10H18N+
MOLECULAR WEIGHT: 152.25662
SMILES: C1CCC(=CC1)[NH+]2CCCC2
Structure:
CAS RN: 929-59-9
CAS Name: 2-[2-(2-ammonioethoxy)ethoxy]ethylammonium
OPENEYE Name: 2-[2-(2-azaniumylethoxy)ethoxy]ethylammonium
IUPAC Name: 2-[2-(2-azaniumylethoxy)ethoxy]ethylazanium
SYSTEMATIC NAME: 2-[2-(2-azaniumylethoxy)ethoxy]ethylazanium
MOLECULAR FORMULA: C6H18N2O2+2
MOLECULAR WEIGHT: 150.21932
SMILES: C(COCCOCC[NH3+])[NH3+]
Structure:
CAS RN: 61714-27-0
CAS Name: 6-[(5-chloro-1-naphthalenyl)sulfonylamino]hexylammonium
OPENEYE Name: 6-[(5-chloro-1-naphthyl)sulfonylamino]hexylammonium
IUPAC Name: 6-[(5-chloronaphthalen-1-yl)sulfonylamino]hexylazanium
SYSTEMATIC NAME: 6-[(5-chloranylnaphthalen-1-yl)sulfonylamino]hexylazanium
MOLECULAR FORMULA: C16H22ClN2O2S+
MOLECULAR WEIGHT: 341.87608
SMILES: C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCC[NH3+]
Structure:
CAS RN: 137694-75-8
CAS Name: (2R)-5-[[amino(methyliminio)methyl]amino]-2-ammoniopentanoate
OPENEYE Name: (2R)-5-[[amino(methyliminio)methyl]amino]-2-azaniumyl-pentanoate
IUPAC Name: (2R)-5-[[amino(methylazaniumylidene)methyl]amino]-2-azaniumylpentanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-5-[[azanyl(methylazaniumylidene)methyl]amino]pentanoate
MOLECULAR FORMULA: C7H17N4O2+
MOLECULAR WEIGHT: 189.23548
SMILES: C[NH+]=C(N)NCCC[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 20632-43-3
CAS Name: 3-(carbamoylamino)benzoate
OPENEYE Name: 3-ureidobenzoate
IUPAC Name: 3-(carbamoylamino)benzoate
SYSTEMATIC NAME: 3-(aminocarbonylamino)benzoate
MOLECULAR FORMULA: C8H7N2O3-
MOLECULAR WEIGHT: 179.15278
SMILES: C1=CC(=CC(=C1)NC(=O)N)C(=O)[O-]
Structure:
CAS RN: 615-83-8
CAS Name: (2S)-2-bromopentanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-bromopentanoate
IUPAC Name: ethyl (2S)-2-bromopentanoate
SYSTEMATIC NAME: ethyl (2S)-2-bromanylpentanoate
MOLECULAR FORMULA: C7H13BrO2
MOLECULAR WEIGHT: 209.08092
SMILES: CCC[C@@H](C(=O)OCC)Br
Structure:
CAS RN: 74764-17-3
CAS Name: 2-(2-pyridin-1-iumylamino)ethylammonium
OPENEYE Name: 2-(pyridin-1-ium-2-ylamino)ethylammonium
IUPAC Name: 2-(pyridin-1-ium-2-ylamino)ethylazanium
SYSTEMATIC NAME: 2-(pyridin-1-ium-2-ylamino)ethylazanium
MOLECULAR FORMULA: C7H13N3+2
MOLECULAR WEIGHT: 139.19822
SMILES: C1=CC=[NH+]C(=C1)NCC[NH3+]
Structure:
CAS RN: 2257-35-4
CAS Name: 2,3,3-trichloro-2-propenoate
OPENEYE Name: 2,3,3-trichloroprop-2-enoate
IUPAC Name: 2,3,3-trichloroprop-2-enoate
SYSTEMATIC NAME: 2,3,3-tris(chloranyl)prop-2-enoate
MOLECULAR FORMULA: C3Cl3O2-
MOLECULAR WEIGHT: 174.3899
SMILES: C(=C(Cl)Cl)(C(=O)[O-])Cl
Structure:
CAS RN: 936-58-3
CAS Name: (1S)-1-phenyl-3-buten-1-ol
OPENEYE Name: (1S)-1-phenylbut-3-en-1-ol
IUPAC Name: (1S)-1-phenylbut-3-en-1-ol
SYSTEMATIC NAME: (1S)-1-phenylbut-3-en-1-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C=CC[C@@H](C1=CC=CC=C1)O
Structure:
CAS RN: 26550-55-0
CAS Name: (2S)-1-methoxy-2-propanol
OPENEYE Name: (2S)-1-methoxypropan-2-ol
IUPAC Name: (2S)-1-methoxypropan-2-ol
SYSTEMATIC NAME: (2S)-1-methoxypropan-2-ol
MOLECULAR FORMULA: C4H10O2
MOLECULAR WEIGHT: 90.121
SMILES: C[C@@H](COC)O
Structure:
CAS RN: 769-68-6
CAS Name: (2R)-2-phenylbutanenitrile
OPENEYE Name: (2R)-2-phenylbutanenitrile
IUPAC Name: (2R)-2-phenylbutanenitrile
SYSTEMATIC NAME: (2R)-2-phenylbutanenitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC[C@@H](C#N)C1=CC=CC=C1
Structure:
CAS RN: 25395-31-7
CAS Name: acetic acid [(2S)-2-acetyloxy-3-hydroxypropyl] ester
OPENEYE Name: [(2S)-2-acetoxy-3-hydroxy-propyl] acetate
IUPAC Name: [(2S)-2-acetyloxy-3-hydroxypropyl] acetate
SYSTEMATIC NAME: [(2S)-2-acetyloxy-3-oxidanyl-propyl] ethanoate
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: CC(=O)OC[C@H](CO)OC(=O)C
Structure:
CAS RN: 13574-13-5
CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylmethoxypentanoate
OPENEYE Name: (2S)-5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoate
IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoate
SYSTEMATIC NAME: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoate
MOLECULAR FORMULA: C17H22NO6-
MOLECULAR WEIGHT: 336.35968
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)[O-]
Structure:
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