CAS RN: 54984-82-6
CAS Name: 2-[ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
OPENEYE Name: 2-[ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
IUPAC Name: 2-[ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H26ClNO5
MOLECULAR WEIGHT: 311.80224
SMILES: CCN(CCO)CC1C2C(C(O1)OC)OC(O2)(C)C.Cl
Structure:
CAS RN: 54946-40-6
CAS Name: 2-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methylamino]ethanol hydrochloride
OPENEYE Name: 2-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methylamino]ethanol hydrochloride
IUPAC Name: 2-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methylamino]ethanol hydrochloride
MOLECULAR FORMULA: C11H22ClNO5
MOLECULAR WEIGHT: 283.74908
SMILES: CC1(OC2C(OC(C2O1)OC)CNCCO)C.Cl
Structure:
CAS RN: 81891-97-6
CAS Name: azanide; cobalt; nitrite; thiocyanate
OPENEYE Name: azanide; cobalt; nitrite; thiocyanate
IUPAC Name: azanide; cobalt; nitrite; thiocyanate
SYSTEMATIC NAME: azanide; cobalt; nitrite; thiocyanate
MOLECULAR FORMULA: CH8CoN6O2S-6
MOLECULAR WEIGHT: 227.11142
SMILES: C(#N)[S-].[NH2-].[NH2-].[NH2-].[NH2-].N(=O)[O-].[Co]
Structure:
CAS RN: 21647-72-3
CAS Name: dimethylgallium; pentane-2,4-dione
OPENEYE Name: dimethylgallium; pentane-2,4-dione
IUPAC Name: dimethylgallium; pentane-2,4-dione
SYSTEMATIC NAME: dimethylgallium; pentane-2,4-dione
MOLECULAR FORMULA: C7H14GaO2
MOLECULAR WEIGHT: 199.90786
SMILES: CC(=O)CC(=O)C.C[Ga]C
Structure:
CAS RN: 14642-34-3
CAS Name: gallium; 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-ol; 1,2-dihydroquinolin-8-olate
OPENEYE Name: gallium; 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-ol; 1,2-dihydroquinolin-8-olate
IUPAC Name: gallium; 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-ol; 1,2-dihydroquinolin-8-olate
SYSTEMATIC NAME: gallium; 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-8-ol; 1,2-dihydroquinolin-8-olate
MOLECULAR FORMULA: C27H40GaN3O3
MOLECULAR WEIGHT: 524.3478
SMILES: C1CC2CCC[N-]C2C(C1)O.C1CC2CCC[N-]C2C(C1)O.C1C=CC2=C(N1)C(=CC=C2)[O-].[Ga+3]
Structure:
CAS RN: 15763-57-2
CAS Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; potassium
OPENEYE Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; potassium
IUPAC Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; potassium
SYSTEMATIC NAME: 2,5-bis(oxidanyl)benzene-1,4-disulfonic acid; potassium
MOLECULAR FORMULA: C6H6KO8S2
MOLECULAR WEIGHT: 309.33534
SMILES: C1=C(C(=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O)O.[K]
Structure:
CAS RN: 6392-03-6
CAS Name: 1-[(4-hexadecoxy-3-methoxyphenyl)-(methylthio)methylidene]piperidin-1-ium iodide
OPENEYE Name: 1-[(4-hexadecoxy-3-methoxy-phenyl)-methylsulfanyl-methylene]piperidin-1-ium iodide
IUPAC Name: 1-[(4-hexadecoxy-3-methoxyphenyl)-methylsulfanylmethylidene]piperidin-1-ium iodide
SYSTEMATIC NAME: 1-[(4-hexadecoxy-3-methoxy-phenyl)-methylsulfanyl-methylidene]piperidin-1-ium iodide
MOLECULAR FORMULA: C30H52INO2S
MOLECULAR WEIGHT: 617.70885
SMILES: CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=[N+]2CCCCC2)SC)OC.[I-]
Structure:
CAS RN: 19224-33-0
CAS Name: N-[4-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]phenyl]acetamide iodide
OPENEYE Name: N-[4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]acetamide iodide
IUPAC Name: N-[4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]acetamide iodide
SYSTEMATIC NAME: N-[4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethanamide iodide
MOLECULAR FORMULA: C16H17IN2O
MOLECULAR WEIGHT: 380.22345
SMILES: CC(=O)NC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]
Structure:
CAS RN: 7327-90-4
CAS Name: 5-nitro-2-phenoxybenzenesulfonic acid; sodium
OPENEYE Name: 5-nitro-2-phenoxy-benzenesulfonic acid; sodium
IUPAC Name: 5-nitro-2-phenoxybenzenesulfonic acid; sodium
SYSTEMATIC NAME: 5-nitro-2-phenoxy-benzenesulfonic acid; sodium
MOLECULAR FORMULA: C12H9NNaO6S
MOLECULAR WEIGHT: 318.25773
SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.[Na]
Structure:
CAS RN: 29338-13-4
CAS Name: 3-methyl-2-(methylthio)-1,3-benzothiazol-3-ium-5-sulfonic acid; methyl sulfate
OPENEYE Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid; methyl sulfate
IUPAC Name: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid; methyl sulfate
SYSTEMATIC NAME: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonic acid; methyl sulfate
MOLECULAR FORMULA: C10H13NO7S4
MOLECULAR WEIGHT: 387.47272
SMILES: C[N+]1=C(SC2=C1C=C(C=C2)S(=O)(=O)O)SC.COS(=O)(=O)[O-]
Structure:
CAS RN: 26608-75-3
CAS Name: 3-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1H-indole iodide
OPENEYE Name: 3-[2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-indole iodide
IUPAC Name: 3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole iodide
SYSTEMATIC NAME: 3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole iodide
MOLECULAR FORMULA: C16H15IN2
MOLECULAR WEIGHT: 362.20817
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CNC3=CC=CC=C32.[I-]
Structure:
CAS RN: 41637-07-4
CAS Name: dichloroplatinum(2+); 1,2-dihydropyridine-5-carboxylate; 3-piperidin-1-idecarboxylic acid
OPENEYE Name: dichloroplatinum(2+); 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
IUPAC Name: dichloroplatinum(2+); 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
SYSTEMATIC NAME: bis(chloranyl)platinum(2+); 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
MOLECULAR FORMULA: C12H16Cl2N2O4Pt
MOLECULAR WEIGHT: 518.25044
SMILES: C1CC(C[N-]C1)C(=O)O.C1C=CC(=CN1)C(=O)[O-].Cl[Pt+2]Cl
Structure:
CAS RN: 41666-78-8
CAS Name: 2-azanidylethylazanide; 2-ethylpropanedioic acid; platinum(2+)
OPENEYE Name: 2-azanidylethylazanide; 2-ethylpropanedioic acid; platinum(2+)
IUPAC Name: 2-azanidylethylazanide; 2-ethylpropanedioic acid; platinum(2+)
SYSTEMATIC NAME: 2-azanidylethylazanide; 2-ethylpropanedioic acid; platinum(2+)
MOLECULAR FORMULA: C7H14N2O4Pt
MOLECULAR WEIGHT: 385.27506
SMILES: CCC(C(=O)O)C(=O)O.C(C[NH-])[NH-].[Pt+2]
Structure:
CAS RN: 67258-25-7
CAS Name: 1-[3-(1-isoquinolinyl)propyl]-2-methylisoquinolin-2-ium iodide
OPENEYE Name: 1-[3-(1-isoquinolyl)propyl]-2-methyl-isoquinolin-2-ium iodide
IUPAC Name: 1-(3-isoquinolin-1-ylpropyl)-2-methylisoquinolin-2-ium iodide
SYSTEMATIC NAME: 1-(3-isoquinolin-1-ylpropyl)-2-methyl-isoquinolin-2-ium iodide
MOLECULAR FORMULA: C22H21IN2
MOLECULAR WEIGHT: 440.32001
SMILES: C[N+]1=C(C2=CC=CC=C2C=C1)CCCC3=NC=CC4=CC=CC=C43.[I-]
Structure:
CAS RN: 41467-93-0
CAS Name: 1-nitro-2-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine
OPENEYE Name: 1-nitro-2-[(E)-(2,3,4,5,6-pentafluorophenyl)methyleneamino]guanidine
IUPAC Name: 1-nitro-2-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine
SYSTEMATIC NAME: 1-nitro-2-[(E)-[2,3,4,5,6-pentakis(fluoranyl)phenyl]methylideneamino]guanidine
MOLECULAR FORMULA: C8H4F5N5O2
MOLECULAR WEIGHT: 297.141676
SMILES: C(=N/N=C(\N)/N[N+](=O)[O-])\C1=C(C(=C(C(=C1F)F)F)F)F
Structure:
CAS RN: 2003-34-1
CAS Name: N-(2-bromoethyl)-2-chloroethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-chloro-ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-chloroethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-ethanamine hydrobromide
MOLECULAR FORMULA: C4H10Br2ClN
MOLECULAR WEIGHT: 267.3899
SMILES: C(CCl)NCCBr.Br
Structure:
CAS RN: 37387-68-1
CAS Name: 2-[5-[2-(dimethylamino)ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioic acid diethyl ester hydrobromide
OPENEYE Name: diethyl 2-[5-[2-(dimethylamino)ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioate hydrobromide
IUPAC Name: diethyl 2-[5-[2-(dimethylamino)ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioate hydrobromide
SYSTEMATIC NAME: diethyl 2-[5-[2-(dimethylamino)ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]propanedioate hydrobromide
MOLECULAR FORMULA: C25H31BrN2O5
MOLECULAR WEIGHT: 519.42804
SMILES: CCOC(=O)C(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCN(C)C)C(=O)OCC.Br
Structure:
CAS RN: 28335-55-9
CAS Name: 6-dimethylsulfoniohexyl(dimethyl)sulfonium bromide
OPENEYE Name: 6-dimethylsulfoniohexyl(dimethyl)sulfonium bromide
IUPAC Name: 6-dimethylsulfoniohexyl(dimethyl)sulfanium bromide
SYSTEMATIC NAME: 6-dimethylsulfoniohexyl(dimethyl)sulfanium bromide
MOLECULAR FORMULA: C10H24BrS2+
MOLECULAR WEIGHT: 288.33156
SMILES: C[S+](C)CCCCCC[S+](C)C.[Br-]
Structure:
CAS RN: 15996-64-2
CAS Name: 2-(2-naphthalenylmethylideneamino)guanidine hydrochloride
OPENEYE Name: 2-(2-naphthylmethyleneamino)guanidine hydrochloride
IUPAC Name: 2-(naphthalen-2-ylmethylideneamino)guanidine hydrochloride
SYSTEMATIC NAME: 2-(naphthalen-2-ylmethylideneamino)guanidine hydrochloride
MOLECULAR FORMULA: C12H13ClN4
MOLECULAR WEIGHT: 248.71142
SMILES: C1=CC=C2C=C(C=CC2=C1)C=NN=C(N)N.Cl
Structure:
CAS RN: 34328-11-5
CAS Name: 1-[(Z)-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]-2,3-dimethylguanidine hydrochloride
OPENEYE Name: 1-[(Z)-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methylene]amino]-2,3-dimethyl-guanidine hydrochloride
IUPAC Name: 1-[(Z)-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]-2,3-dimethylguanidine hydrochloride
SYSTEMATIC NAME: 1-[(Z)-[(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]-2,3-dimethyl-guanidine hydrochloride
MOLECULAR FORMULA: C17H17BrClF3N4
MOLECULAR WEIGHT: 449.69589
SMILES: CNC(=NC)N/N=C(/C1=CC=C(C=C1)C(F)(F)F)\C2=CC=C(C=C2)Br.Cl
Structure:
CAS RN: 38501-34-7
CAS Name: 2-(dibutylamino)-1-(6,8-dichloro-4-methoxy-2-quinolinyl)ethanol hydrochloride
OPENEYE Name: 2-(dibutylamino)-1-(6,8-dichloro-4-methoxy-2-quinolyl)ethanol hydrochloride
IUPAC Name: 2-(dibutylamino)-1-(6,8-dichloro-4-methoxyquinolin-2-yl)ethanol hydrochloride
SYSTEMATIC NAME: 1-[6,8-bis(chloranyl)-4-methoxy-quinolin-2-yl]-2-(dibutylamino)ethanol hydrochloride
MOLECULAR FORMULA: C20H29Cl3N2O2
MOLECULAR WEIGHT: 435.81546
SMILES: CCCCN(CCCC)CC(C1=NC2=C(C=C(C=C2C(=C1)OC)Cl)Cl)O.Cl
Structure:
CAS RN: 38923-15-8
CAS Name: 2-(dibutylamino)-1-[6,8-dichloro-2-(phenylmethyl)-4-quinolinyl]ethanol hydrochloride
OPENEYE Name: 1-(2-benzyl-6,8-dichloro-4-quinolyl)-2-(dibutylamino)ethanol hydrochloride
IUPAC Name: 1-(2-benzyl-6,8-dichloroquinolin-4-yl)-2-(dibutylamino)ethanol hydrochloride
SYSTEMATIC NAME: 1-[6,8-bis(chloranyl)-2-(phenylmethyl)quinolin-4-yl]-2-(dibutylamino)ethanol hydrochloride
MOLECULAR FORMULA: C26H33Cl3N2O
MOLECULAR WEIGHT: 495.91202
SMILES: CCCCN(CCCC)CC(C1=CC(=NC2=C(C=C(C=C12)Cl)Cl)CC3=CC=CC=C3)O.Cl
Structure:
CAS RN: 93270-42-9
CAS Name: 2-(3,4,5-trimethoxyphenyl)ethanimidic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-(3,4,5-trimethoxyphenyl)ethanimidate hydrochloride
IUPAC Name: ethyl 2-(3,4,5-trimethoxyphenyl)ethanimidate hydrochloride
SYSTEMATIC NAME: ethyl 2-(3,4,5-trimethoxyphenyl)ethanimidate hydrochloride
MOLECULAR FORMULA: C13H20ClNO4
MOLECULAR WEIGHT: 289.7552
SMILES: CCOC(=N)CC1=CC(=C(C(=C1)OC)OC)OC.Cl
Structure:
CAS RN: 5077-53-2
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; tin
OPENEYE Name: citric acid; tin
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; tin
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylic acid; tin
MOLECULAR FORMULA: C6H8O7Sn
MOLECULAR WEIGHT: 310.83352
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Sn]
Structure:
CAS RN: 26506-24-1
CAS Name: 1-methyl-2-[2-(2-pyridinyl)ethenyl]pyridin-1-ium iodide
OPENEYE Name: 1-methyl-2-[2-(2-pyridyl)vinyl]pyridin-1-ium iodide
IUPAC Name: 1-methyl-2-(2-pyridin-2-ylethenyl)pyridin-1-ium iodide
SYSTEMATIC NAME: 1-methyl-2-(2-pyridin-2-ylethenyl)pyridin-1-ium iodide
MOLECULAR FORMULA: C13H13IN2
MOLECULAR WEIGHT: 324.16019
SMILES: C[N+]1=CC=CC=C1C=CC2=CC=CC=N2.[I-]
Structure:
CAS RN: 39954-60-4
CAS Name: 2-(5-nitro-2-isoquinolin-2-iumyl)-1-phenylethanone bromide
OPENEYE Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide
IUPAC Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenylethanone bromide
SYSTEMATIC NAME: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide
MOLECULAR FORMULA: C17H13BrN2O3
MOLECULAR WEIGHT: 373.20072
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-].[Br-]
Structure:
CAS RN: 19182-34-4
CAS Name: ammonia; (4-fluorophenyl)carbamodithioic acid
OPENEYE Name: ammonia; (4-fluorophenyl)carbamodithioic acid
IUPAC Name: azane; (4-fluorophenyl)carbamodithioic acid
SYSTEMATIC NAME: azane; (4-fluorophenyl)carbamodithioic acid
MOLECULAR FORMULA: C7H9FN2S2
MOLECULAR WEIGHT: 204.288163
SMILES: C1=CC(=CC=C1NC(=S)S)F.N
Structure:
CAS RN: 2960-45-4
CAS Name: amino-(diphenylphosphinimylamino)-diphenylphosphonium chloride
OPENEYE Name: amino-(diphenylphosphinimylamino)-diphenyl-phosphonium chloride
IUPAC Name: amino-(diphenylphosphinimylamino)-diphenylphosphanium chloride
SYSTEMATIC NAME: azanyl-(diphenylphosphinimylamino)-diphenyl-phosphanium chloride
MOLECULAR FORMULA: C24H24ClN3P2
MOLECULAR WEIGHT: 451.867982
SMILES: C1=CC=C(C=C1)P(=N)(C2=CC=CC=C2)N[P+](C3=CC=CC=C3)(C4=CC=CC=C4)N.[Cl-]
Structure:
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