CAS RN: 63629-78-7
CAS Name: 3,4,5-triacetyloxy-6-(1-pyridin-1-iumyl)-2-oxanecarboxylic acid methyl ester bromide
OPENEYE Name: methyl 3,4,5-triacetoxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-carboxylate bromide
IUPAC Name: methyl 3,4,5-triacetyloxy-6-pyridin-1-ium-1-yloxane-2-carboxylate bromide
SYSTEMATIC NAME: methyl 3,4,5-triacetyloxy-6-pyridin-1-ium-1-yl-oxane-2-carboxylate bromide
MOLECULAR FORMULA: C18H22BrNO9
MOLECULAR WEIGHT: 476.27258
SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)[N+]2=CC=CC=C2)C(=O)OC)OC(=O)C.[Br-]
Structure:
CAS RN: 89339-14-0
CAS Name: 3,4,5-trihydroxy-6-(1-pyridin-1-iumyl)-2-oxanecarboxylate
OPENEYE Name: 3,4,5-trihydroxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-carboxylate
IUPAC Name: 3,4,5-trihydroxy-6-pyridin-1-ium-1-yloxane-2-carboxylate
SYSTEMATIC NAME: 3,4,5-tris(oxidanyl)-6-pyridin-1-ium-1-yl-oxane-2-carboxylate
MOLECULAR FORMULA: C11H13NO6
MOLECULAR WEIGHT: 255.22402
SMILES: C1=CC=[N+](C=C1)C2C(C(C(C(O2)C(=O)[O-])O)O)O
Structure:
CAS RN: 41849-15-4
CAS Name: 2-hydroxy-1-cyclohepta-2,4,6-trienone; ruthenium
OPENEYE Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; ruthenium
IUPAC Name: 2-hydroxycyclohepta-2,4,6-trien-1-one; ruthenium
SYSTEMATIC NAME: 2-oxidanylcyclohepta-2,4,6-trien-1-one; ruthenium
MOLECULAR FORMULA: C21H18O6Ru
MOLECULAR WEIGHT: 467.43402
SMILES: C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.C1=CC=C(C(=O)C=C1)O.[Ru]
Structure:
CAS RN: 58114-29-7
CAS Name: 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid; sodium
OPENEYE Name: 2-amino-3-(3-hydroxy-4-oxo-1-pyridyl)propanoic acid; sodium
IUPAC Name: 2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid; sodium
SYSTEMATIC NAME: 2-azanyl-3-(3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoic acid; sodium
MOLECULAR FORMULA: C8H10N2NaO4
MOLECULAR WEIGHT: 221.16577
SMILES: C1=CN(C=C(C1=O)O)CC(C(=O)O)N.[Na]
Structure:
CAS RN: 80734-98-1
CAS Name: dimethyltin; 2-methyl-1,2-dihydroquinolin-8-olate; 2-methyl-8-quinolinol
OPENEYE Name: dimethyltin; 2-methyl-1,2-dihydroquinolin-8-olate; 2-methylquinolin-8-ol
IUPAC Name: dimethyltin; 2-methyl-1,2-dihydroquinolin-8-olate; 2-methylquinolin-8-ol
SYSTEMATIC NAME: dimethyltin; 2-methyl-1,2-dihydroquinolin-8-olate; 2-methylquinolin-8-ol
MOLECULAR FORMULA: C22H25N2O2Sn-
MOLECULAR WEIGHT: 468.1561
SMILES: CC1C=CC2=C(N1)C(=CC=C2)[O-].CC1=NC2=C(C=CC=C2O)C=C1.C[Sn]C
Structure:
CAS RN: 53129-05-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H16ClNO6
MOLECULAR WEIGHT: 365.76504
SMILES: COC1=CC2=C(C=C1)C3=[N+](CC2)C4=C(C=C3)C(=O)CC4.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 6060-51-1
CAS Name: 1-methyl-3-pyridin-1-iumcarboxaldehyde oxime iodide
OPENEYE Name: 1-methylpyridin-1-ium-3-carbaldehyde oxime iodide
IUPAC Name: N-[(1-methylpyridin-1-ium-3-yl)methylidene]hydroxylamine iodide
SYSTEMATIC NAME: N-[(1-methylpyridin-1-ium-3-yl)methylidene]hydroxylamine iodide
MOLECULAR FORMULA: C7H9IN2O
MOLECULAR WEIGHT: 264.06363
SMILES: C[N+]1=CC=CC(=C1)C=NO.[I-]
Structure:
CAS RN: 82466-83-9
CAS Name: (1-carboxy-3-methylbutyl)azanide; praseodymium(3+)
OPENEYE Name: (1-carboxy-3-methyl-butyl)azanide; praseodymium(3+)
IUPAC Name: (1-carboxy-3-methylbutyl)azanide; praseodymium(3+)
SYSTEMATIC NAME: (4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanide; praseodymium(3+)
MOLECULAR FORMULA: C18H36N3O6Pr
MOLECULAR WEIGHT: 531.40259
SMILES: CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].[Pr+3]
Structure:
CAS RN: 36540-21-3
CAS Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid; sodium
OPENEYE Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid; sodium
IUPAC Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid; sodium
SYSTEMATIC NAME: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid; sodium
MOLECULAR FORMULA: C12H17NNaO3S3
MOLECULAR WEIGHT: 342.45305
SMILES: CC(=O)NCCSSCC1=CC=CC=C1CS(=O)O.[Na]
Structure:
CAS RN: 21434-64-0
CAS Name: [1-carboxy-2-(methylthio)ethyl]azanide; dichloroplatinum
OPENEYE Name: (1-carboxy-2-methylsulfanyl-ethyl)azanide; dichloroplatinum
IUPAC Name: (1-carboxy-2-methylsulfanylethyl)azanide; dichloroplatinum
SYSTEMATIC NAME: bis(chloranyl)platinum; (3-methylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanide
MOLECULAR FORMULA: C4H8Cl2NO2PtS-
MOLECULAR WEIGHT: 400.16082
SMILES: CSCC(C(=O)O)[NH-].Cl[Pt]Cl
Structure:
CAS RN: 93559-46-7
CAS Name: 1,3-dimethyl-6-[2-(4-morpholinyl)ethylamino]-5-(1-oxo-3-phenylprop-2-enyl)pyrimidine-2,4-dione hydrochloride
OPENEYE Name: 1,3-dimethyl-6-(2-morpholinoethylamino)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
IUPAC Name: 1,3-dimethyl-6-(2-morpholin-4-ylethylamino)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 1,3-dimethyl-6-(2-morpholin-4-ylethylamino)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C21H27ClN4O4
MOLECULAR WEIGHT: 434.91648
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)C=CC2=CC=CC=C2)NCCN3CCOCC3.Cl
Structure:
CAS RN: 30159-83-2
CAS Name: N-[2-(phenyliminomethyl)-1-cyclopentenyl]aniline hydrochloride
OPENEYE Name: N-[2-(phenyliminomethyl)cyclopenten-1-yl]aniline hydrochloride
IUPAC Name: N-[2-(phenyliminomethyl)cyclopenten-1-yl]aniline hydrochloride
SYSTEMATIC NAME: N-[2-(phenyliminomethyl)cyclopenten-1-yl]aniline hydrochloride
MOLECULAR FORMULA: C18H19ClN2
MOLECULAR WEIGHT: 298.80986
SMILES: C1CC(=C(C1)NC2=CC=CC=C2)C=NC3=CC=CC=C3.Cl
Structure:
CAS RN: 24716-30-1
CAS Name: 1-[2-(1H-indol-3-yl)ethyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile hydrochloride
OPENEYE Name: 1-[2-(1H-indol-3-yl)ethyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile hydrochloride
IUPAC Name: 1-[2-(1H-indol-3-yl)ethyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile hydrochloride
SYSTEMATIC NAME: 1-[2-(1H-indol-3-yl)ethyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile hydrochloride
MOLECULAR FORMULA: C18H22ClN3
MOLECULAR WEIGHT: 315.84038
SMILES: CC1=C(CN(C(C1)C#N)CCC2=CNC3=CC=CC=C32)C.Cl
Structure:
CAS RN: 2596-89-6
CAS Name: (3Z)-3-diazoindazole
OPENEYE Name: (3Z)-3-diazoindazole
IUPAC Name: (3Z)-3-diazoindazole
SYSTEMATIC NAME: (3Z)-3-diazoindazole
MOLECULAR FORMULA: C7H4N4
MOLECULAR WEIGHT: 144.13346
SMILES: C1=CC=C2C(=C1)C(=[N+]=[N-])N=N2
Structure:
CAS RN: 50309-43-8
CAS Name: trimethyl-[(1-methyl-2-nitro-4-imidazolyl)methyl]ammonium iodide
OPENEYE Name: trimethyl-[(1-methyl-2-nitro-imidazol-4-yl)methyl]ammonium iodide
IUPAC Name: trimethyl-[(1-methyl-2-nitroimidazol-4-yl)methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(1-methyl-2-nitro-imidazol-4-yl)methyl]azanium iodide
MOLECULAR FORMULA: C8H15IN4O2
MOLECULAR WEIGHT: 326.13477
SMILES: CN1C=C(N=C1[N+](=O)[O-])C[N+](C)(C)C.[I-]
Structure:
CAS RN: 61616-99-7
CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide; dichloroplatinum(2+); 5H-quinolin-1-ide
OPENEYE Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide; dichloroplatinum(2+); 5H-quinolin-1-ide
IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide; dichloroplatinum(2+); 5H-quinolin-1-ide
SYSTEMATIC NAME: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide; bis(chloranyl)platinum(2+); 5H-quinolin-1-ide
MOLECULAR FORMULA: C18H24Cl2N2Pt
MOLECULAR WEIGHT: 534.38056
SMILES: C1CCC2C(C1)CCC[N-]2.C1C=CC=C2C1=CC=C[N-]2.Cl[Pt+2]Cl
Structure:
CAS RN: 92389-64-5
CAS Name: (2-azanidylcyclohexyl)azanide; 4-[4-(dimethylamino)phenyl]azobenzenesulfonic acid; platinum(2+)
OPENEYE Name: (2-azanidylcyclohexyl)azanide; 4-[4-(dimethylamino)phenyl]azobenzenesulfonic acid; platinum(2+)
IUPAC Name: (2-azanidylcyclohexyl)azanide; 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid; platinum(2+)
SYSTEMATIC NAME: (2-azanidylcyclohexyl)azanide; 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid; platinum(2+)
MOLECULAR FORMULA: C34H42N8O6PtS2
MOLECULAR WEIGHT: 917.95528
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O.CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O.C1CCC(C(C1)[NH-])[NH-].[Pt+2]
Structure:
CAS RN: 23686-23-9
CAS Name: acetic acid; copper
OPENEYE Name: acetic acid; copper
IUPAC Name: acetic acid; copper
SYSTEMATIC NAME: copper; ethanoic acid
MOLECULAR FORMULA: C8H16Cu2O8
MOLECULAR WEIGHT: 367.29984
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Cu].[Cu]
Structure:
CAS RN: 82465-16-5
CAS Name: (1-carboxy-3-methylbutyl)azanide; tin(2+)
OPENEYE Name: stannous (1-carboxy-3-methyl-butyl)azanide
IUPAC Name: (1-carboxy-3-methylbutyl)azanide; tin(2+)
SYSTEMATIC NAME: (4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanide; tin(2+)
MOLECULAR FORMULA: C12H24N2O4Sn
MOLECULAR WEIGHT: 379.03996
SMILES: CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].[Sn+2]
Structure:
CAS RN: 82465-15-4
CAS Name: (1-carboxy-2-methylpropyl)azanide; tin(2+)
OPENEYE Name: stannous (1-carboxy-2-methyl-propyl)azanide
IUPAC Name: (1-carboxy-2-methylpropyl)azanide; tin(2+)
SYSTEMATIC NAME: (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanide; tin(2+)
MOLECULAR FORMULA: C10H20N2O4Sn
MOLECULAR WEIGHT: 350.9868
SMILES: CC(C)C(C(=O)O)[NH-].CC(C)C(C(=O)O)[NH-].[Sn+2]
Structure:
CAS RN: 75899-93-3
CAS Name: (1-carboxy-2-phenylethyl)azanide; tin(2+)
OPENEYE Name: stannous (1-carboxy-2-phenyl-ethyl)azanide
IUPAC Name: (1-carboxy-2-phenylethyl)azanide; tin(2+)
SYSTEMATIC NAME: (1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)azanide; tin(2+)
MOLECULAR FORMULA: C18H20N2O4Sn
MOLECULAR WEIGHT: 447.0724
SMILES: C1=CC=C(C=C1)CC(C(=O)O)[NH-].C1=CC=C(C=C1)CC(C(=O)O)[NH-].[Sn+2]
Structure:
CAS RN: 75899-91-1
CAS Name: 2-azanidyl-3-hydroxy-3-oxo-1-propanethiolate; chlorotin
OPENEYE Name: 2-azanidyl-3-hydroxy-3-oxo-propane-1-thiolate; chlorotin
IUPAC Name: 2-azanidyl-3-hydroxy-3-oxopropane-1-thiolate; chlorotin
SYSTEMATIC NAME: 2-azanidyl-3-oxidanyl-3-oxidanylidene-propane-1-thiolate; chloranyltin
MOLECULAR FORMULA: C3H5ClNO2SSn-2
MOLECULAR WEIGHT: 273.3053
SMILES: C(C(C(=O)O)[NH-])[S-].Cl[Sn]
Structure:
CAS RN: 74578-87-3
CAS Name: N'-(2-chlorophenyl)-N-hydroxy-4-methyl-N-phenylbenzenecarboximidamide hydrochloride
OPENEYE Name: N'-(2-chlorophenyl)-N-hydroxy-4-methyl-N-phenyl-benzamidine hydrochloride
IUPAC Name: N'-(2-chlorophenyl)-N-hydroxy-4-methyl-N-phenylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: N'-(2-chlorophenyl)-4-methyl-N-oxidanyl-N-phenyl-benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C20H18Cl2N2O
MOLECULAR WEIGHT: 373.27572
SMILES: CC1=CC=C(C=C1)C(=NC2=CC=CC=C2Cl)N(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 72596-47-5
CAS Name: 2,4,4-triphenyl-1,4-benzoxaphosphorin-4-ium bromide
OPENEYE Name: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide
IUPAC Name: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide
SYSTEMATIC NAME: 2,4,4-triphenyl-1,4-benzoxaphosphinin-4-ium bromide
MOLECULAR FORMULA: C26H20BrOP
MOLECULAR WEIGHT: 459.314161
SMILES: C1=CC=C(C=C1)C2=C[P+](C3=CC=CC=C3O2)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
Structure:
CAS RN: 70474-55-4
CAS Name: 6,7-dimethoxy-1-(3-thiophenylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
OPENEYE Name: 6,7-dimethoxy-1-(3-thienylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC Name: 6,7-dimethoxy-1-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
SYSTEMATIC NAME: 6,7-dimethoxy-1-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
MOLECULAR FORMULA: C16H20ClNO2S
MOLECULAR WEIGHT: 325.8535
SMILES: COC1=C(C=C2C(NCCC2=C1)CC3=CSC=C3)OC.Cl
Structure:
CAS RN: 88184-67-2
CAS Name: 2-diphenylphosphinobenzenesulfonic acid; sodium
OPENEYE Name: 2-diphenylphosphanylbenzenesulfonic acid; sodium
IUPAC Name: 2-diphenylphosphanylbenzenesulfonic acid; sodium
SYSTEMATIC NAME: 2-diphenylphosphanylbenzenesulfonic acid; sodium
MOLECULAR FORMULA: C18H15NaO3PS
MOLECULAR WEIGHT: 365.338431
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O.[Na]
Structure:
CAS RN: 61485-71-0
CAS Name: 3-methyl-1-(4-methyl-1-piperidinyl)-3-(4-phenylphenoxy)-2-butanol hydrochloride
OPENEYE Name: 3-methyl-1-(4-methyl-1-piperidyl)-3-(4-phenylphenoxy)butan-2-ol hydrochloride
IUPAC Name: 3-methyl-1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)butan-2-ol hydrochloride
SYSTEMATIC NAME: 3-methyl-1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)butan-2-ol hydrochloride
MOLECULAR FORMULA: C23H32ClNO2
MOLECULAR WEIGHT: 389.95868
SMILES: CC1CCN(CC1)CC(C(C)(C)OC2=CC=C(C=C2)C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 75899-28-4
CAS Name: 1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolecarboximidic acid methyl ester hydrochloride
OPENEYE Name: methyl 1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboximidate hydrochloride
IUPAC Name: methyl 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboximidate hydrochloride
SYSTEMATIC NAME: methyl 2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboximidate hydrochloride
MOLECULAR FORMULA: C10H19ClN2O2
MOLECULAR WEIGHT: 234.72306
SMILES: CC1(C=C(C(N1O)(C)C)C(=N)OC)C.Cl
Structure:
CAS RN: 7381-67-1
CAS Name: 2-amino-3-(sulfothio)propanoic acid; sodium
OPENEYE Name: 2-amino-3-sulfosulfanyl-propanoic acid; sodium
IUPAC Name: 2-amino-3-sulfosulfanylpropanoic acid; sodium
SYSTEMATIC NAME: 2-azanyl-3-sulfosulfanyl-propanoic acid; sodium
MOLECULAR FORMULA: C3H7NNaO5S2
MOLECULAR WEIGHT: 224.21115
SMILES: C(C(C(=O)O)N)SS(=O)(=O)O.[Na]
Structure:
CAS RN: 85369-16-0
CAS Name: 2-amino-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide hydrochloride
OPENEYE Name: 2-amino-N-(1,3,4-thiadiazol-2-yl)-3-(2-thienyl)propanamide hydrochloride
IUPAC Name: 2-amino-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-propanamide hydrochloride
MOLECULAR FORMULA: C9H11ClN4OS2
MOLECULAR WEIGHT: 290.79284
SMILES: C1=CSC(=C1)CC(C(=O)NC2=NN=CS2)N.Cl
Structure:
CAS RN: 59299-78-4
CAS Name: carbon monoxide; ethanone; rhenium
OPENEYE Name: carbon monoxide; ethanone; rhenium
IUPAC Name: carbon monoxide; ethanone; rhenium
SYSTEMATIC NAME: carbon monoxide; ethanone; rhenium
MOLECULAR FORMULA: C8H6O6Re-2
MOLECULAR WEIGHT: 384.33664
SMILES: C[C-]=O.C[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]
Structure:
CAS RN: 79553-09-6
CAS Name: dibromoplatinum(2+); (4-methoxyphenyl)azanide
OPENEYE Name: dibromoplatinum(2+); (4-methoxyphenyl)azanide
IUPAC Name: dibromoplatinum(2+); (4-methoxyphenyl)azanide
SYSTEMATIC NAME: bis(bromanyl)platinum(2+); (4-methoxyphenyl)azanide
MOLECULAR FORMULA: C14H16Br2N2O2Pt
MOLECULAR WEIGHT: 599.17504
SMILES: COC1=CC=C(C=C1)[NH-].COC1=CC=C(C=C1)[NH-].Br[Pt+2]Br
Structure:
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