CAS RN: 14323-18-3
CAS Name: 1-phenylbutane-1,3-dione; terbium
OPENEYE Name: 1-phenylbutane-1,3-dione; terbium
IUPAC Name: 1-phenylbutane-1,3-dione; terbium
SYSTEMATIC NAME: 1-phenylbutane-1,3-dione; terbium
MOLECULAR FORMULA: C30H30O6Tb
MOLECULAR WEIGHT: 645.48094
SMILES: CC(=O)CC(=O)C1=CC=CC=C1.CC(=O)CC(=O)C1=CC=CC=C1.CC(=O)CC(=O)C1=CC=CC=C1.[Tb]
Structure:
CAS RN: 15454-13-4
CAS Name: europium; 4,4,4-trifluoro-1-(2-furanyl)butane-1,3-dione
OPENEYE Name: europium; 4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione
IUPAC Name: europium; 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
SYSTEMATIC NAME: europium; 4,4,4-tris(fluoranyl)-1-(furan-2-yl)butane-1,3-dione
MOLECULAR FORMULA: C24H15EuF9O9
MOLECULAR WEIGHT: 770.320129
SMILES: C1=COC(=C1)C(=O)CC(=O)C(F)(F)F.C1=COC(=C1)C(=O)CC(=O)C(F)(F)F.C1=COC(=C1)C(=O)CC(=O)C(F)(F)F.[Eu]
Structure:
CAS RN: 14126-89-7
CAS Name: copper; 4,4,4-trifluoro-1-phenylbutane-1,3-dione
OPENEYE Name: copper; 4,4,4-trifluoro-1-phenyl-butane-1,3-dione
IUPAC Name: copper; 4,4,4-trifluoro-1-phenylbutane-1,3-dione
SYSTEMATIC NAME: copper; 4,4,4-tris(fluoranyl)-1-phenyl-butane-1,3-dione
MOLECULAR FORMULA: C20H14CuF6O4
MOLECULAR WEIGHT: 495.859179
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F.[Cu]
Structure:
CAS RN: 61827-16-5
CAS Name: 2-amino-3-[(methylthio)methylthio]-1-propanol hydrochloride
OPENEYE Name: 2-amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol hydrochloride
IUPAC Name: 2-amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol hydrochloride
SYSTEMATIC NAME: 2-azanyl-3-(methylsulfanylmethylsulfanyl)propan-1-ol hydrochloride
MOLECULAR FORMULA: C5H14ClNOS2
MOLECULAR WEIGHT: 203.75376
SMILES: CSCSCC(CO)N.Cl
Structure:
CAS RN: 10304-09-3
CAS Name: 2-methoxy-2-oxoacetic acid; potassium
OPENEYE Name: 2-methoxy-2-oxo-acetic acid; potassium
IUPAC Name: 2-methoxy-2-oxoacetic acid; potassium
SYSTEMATIC NAME: 2-methoxy-2-oxidanylidene-ethanoic acid; potassium
MOLECULAR FORMULA: C3H4KO4
MOLECULAR WEIGHT: 143.15976
SMILES: COC(=O)C(=O)O.[K]
Structure:
CAS RN: 40640-12-8
CAS Name: 1-(5,6-dichloro-2-naphthalenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 1-(5,6-dichloro-2-naphthyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 1-(5,6-dichloronaphthalen-2-yl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 1-[5,6-bis(chloranyl)naphthalen-2-yl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C15H16Cl3N5
MOLECULAR WEIGHT: 372.68004
SMILES: CC1(N=C(N=C(N1C2=CC3=C(C=C2)C(=C(C=C3)Cl)Cl)N)N)C.Cl
Structure:
CAS RN: 15008-23-8
CAS Name: azanide; cobalt; hydrate
OPENEYE Name: azanide; cobalt; hydrate
IUPAC Name: azanide; cobalt; hydrate
SYSTEMATIC NAME: azanide; cobalt; hydrate
MOLECULAR FORMULA: Co2H20N9O-9
MOLECULAR WEIGHT: 280.0849
SMILES: [NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].O.[Co].[Co]
Structure:
CAS RN: 26079-89-0
CAS Name: (1-carboxy-3-methylbutyl)azanide; cobalt(3+)
OPENEYE Name: cobaltic (1-carboxy-3-methyl-butyl)azanide
IUPAC Name: (1-carboxy-3-methylbutyl)azanide; cobalt(3+)
SYSTEMATIC NAME: cobalt(3+); (4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanide
MOLECULAR FORMULA: C18H36CoN3O6
MOLECULAR WEIGHT: 449.42814
SMILES: CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].[Co+3]
Structure:
CAS RN: 32535-27-6
CAS Name: (1-carboxy-3-methylbutyl)azanide; cobalt(3+)
OPENEYE Name: cobaltic (1-carboxy-3-methyl-butyl)azanide
IUPAC Name: (1-carboxy-3-methylbutyl)azanide; cobalt(3+)
SYSTEMATIC NAME: cobalt(3+); (4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)azanide
MOLECULAR FORMULA: C18H36CoN3O6
MOLECULAR WEIGHT: 449.42814
SMILES: CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].CC(C)CC(C(=O)O)[NH-].[Co+3]
Structure:
CAS RN: 19319-48-3
CAS Name: 1,2-bis(methylthio)ethane; carbon monoxide; molybdenum
OPENEYE Name: 1,2-bis(methylsulfanyl)ethane; carbon monoxide; molybdenum
IUPAC Name: 1,2-bis(methylsulfanyl)ethane; carbon monoxide; molybdenum
SYSTEMATIC NAME: 1,2-bis(methylsulfanyl)ethane; carbon monoxide; molybdenum
MOLECULAR FORMULA: C8H10MoO4S2
MOLECULAR WEIGHT: 330.2326
SMILES: CSCCSC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
Structure:
CAS RN: 21244-85-9
CAS Name: 2-[(2,6-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride
OPENEYE Name: 2-[(2,6-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride
IUPAC Name: 2-[(2,6-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-[(2,6-dimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C12H17ClN2O
MOLECULAR WEIGHT: 240.72918
SMILES: CC1=C(C(=CC=C1)C)OCC2=NCCN2.Cl
Structure:
CAS RN: 18475-11-1
CAS Name: aniline; carbon monoxide; chromium
OPENEYE Name: aniline; carbon monoxide; chromium
IUPAC Name: aniline; carbon monoxide; chromium
SYSTEMATIC NAME: aniline; carbon monoxide; chromium
MOLECULAR FORMULA: C11H7CrNO5
MOLECULAR WEIGHT: 285.17308
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N.[Cr]
Structure:
CAS RN: 57013-87-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H61F3N4O12
MOLECULAR WEIGHT: 967.03415
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)CC6=CC(=CC=C6)C(F)(F)F)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 66422-03-5
CAS Name: 3-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride
OPENEYE Name: 3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride
IUPAC Name: 3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride
SYSTEMATIC NAME: 3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-9-oxa-3-aza-6-azoniaspiro[5.5]undecane chloride
MOLECULAR FORMULA: C24H29ClF3N3OS
MOLECULAR WEIGHT: 500.01977
SMILES: C1C[N+]2(CCN1CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F)CCOCC2.[Cl-]
Structure:
CAS RN: 50525-38-7
CAS Name: dichloroplatinum; (phenylthio)benzene
OPENEYE Name: dichloroplatinum; phenylsulfanylbenzene
IUPAC Name: dichloroplatinum; phenylsulfanylbenzene
SYSTEMATIC NAME: bis(chloranyl)platinum; phenylsulfanylbenzene
MOLECULAR FORMULA: C24H20Cl2PtS2
MOLECULAR WEIGHT: 638.5296
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2.C1=CC=C(C=C1)SC2=CC=CC=C2.Cl[Pt]Cl
Structure:
CAS RN: 51176-01-3
CAS Name: azanide; cobalt; 2-pyridinecarboximidate
OPENEYE Name: azanide; cobalt; pyridine-2-carboximidate
IUPAC Name: azanide; cobalt; pyridine-2-carboximidate
SYSTEMATIC NAME: azanide; cobalt; pyridine-2-carboximidate
MOLECULAR FORMULA: C6H15CoN7O-6
MOLECULAR WEIGHT: 260.1628
SMILES: C1=CC=NC(=C1)C(=N)[O-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Co]
Structure:
CAS RN: 53739-08-5
CAS Name: 4-acetylbenzonitrile; azanide; cobalt(3+); trihydroxy(oxo)-$l^{5}-chlorane
OPENEYE Name: cobaltic; 4-acetylbenzonitrile; azanide; trihydroxy(oxo)-$l^{5}-chlorane
IUPAC Name: 4-acetylbenzonitrile; azanide; cobalt(3+); trihydroxy(oxo)-$l^{5}-chlorane
SYSTEMATIC NAME: azanide; cobalt(3+); 4-ethanoylbenzenecarbonitrile; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane
MOLECULAR FORMULA: C9H20ClCoN6O5-2
MOLECULAR WEIGHT: 386.6785
SMILES: CC(=O)C1=CC=C(C=C1)C#N.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].OCl(=O)(O)O.[Co+3]
Structure:
CAS RN: 26560-38-3
CAS Name: 2-[[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; calcium
OPENEYE Name: 2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; calcium
IUPAC Name: 2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; calcium
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid; calcium
MOLECULAR FORMULA: C20H25CaN7O6
MOLECULAR WEIGHT: 499.5338
SMILES: CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca]
Structure:
CAS RN: 23683-80-9
CAS Name: N-hydroxybenzamide; iron
OPENEYE Name: benzenecarbohydroxamic acid; iron
IUPAC Name: N-hydroxybenzamide; iron
SYSTEMATIC NAME: iron; N-oxidanylbenzamide
MOLECULAR FORMULA: C21H21FeN3O6
MOLECULAR WEIGHT: 467.25294
SMILES: C1=CC=C(C=C1)C(=O)NO.C1=CC=C(C=C1)C(=O)NO.C1=CC=C(C=C1)C(=O)NO.[Fe]
Structure:
CAS RN: 15609-41-3
CAS Name: bis[2-(diethylamino)ethyl]azanide; dichlorocobalt(1+)
OPENEYE Name: bis[2-(diethylamino)ethyl]azanide; dichlorocobalt(1+)
IUPAC Name: bis[2-(diethylamino)ethyl]azanide; dichlorocobalt(1+)
SYSTEMATIC NAME: bis(chloranyl)cobalt(1+); bis[2-(diethylamino)ethyl]azanide
MOLECULAR FORMULA: C12H28Cl2CoN3
MOLECULAR WEIGHT: 344.21002
SMILES: CCN(CC)CC[N-]CCN(CC)CC.Cl[Co+]Cl
Structure:
CAS RN: 32061-17-9
CAS Name: 1,3-dioxan-5-yl(trimethyl)ammonium iodide
OPENEYE Name: 1,3-dioxan-5-yl(trimethyl)ammonium iodide
IUPAC Name: 1,3-dioxan-5-yl(trimethyl)azanium iodide
SYSTEMATIC NAME: 1,3-dioxan-5-yl(trimethyl)azanium iodide
MOLECULAR FORMULA: C7H16INO2
MOLECULAR WEIGHT: 273.11191
SMILES: C[N+](C)(C)C1COCOC1.[I-]
Structure:
CAS RN: 92814-31-8
CAS Name: 2-(4-aminophenyl)ethanol hydrochloride
OPENEYE Name: 2-(4-aminophenyl)ethanol hydrochloride
IUPAC Name: 2-(4-aminophenyl)ethanol hydrochloride
SYSTEMATIC NAME: 2-(4-aminophenyl)ethanol hydrochloride
MOLECULAR FORMULA: C8H12ClNO
MOLECULAR WEIGHT: 173.63998
SMILES: C1=CC(=CC=C1CCO)N.Cl
Structure:
CAS RN: 18111-13-2
CAS Name: 2-amino-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
OPENEYE Name: 2-amino-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
IUPAC Name: 2-amino-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
MOLECULAR FORMULA: C11H18ClNO4
MOLECULAR WEIGHT: 263.71792
SMILES: COC1=CC(=CC(=C1OC)OC)C(CN)O.Cl
Structure:
CAS RN: 13496-17-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H15BrN4
MOLECULAR WEIGHT: 259.1462
SMILES: C#CC[N+]12CN3CN(C1)CN(C3)C2.[Br-]
Structure:
CAS RN: 21219-33-0
CAS Name: dichloroplatinum(2+); (4-methylphenyl)azanide
OPENEYE Name: dichloroplatinum(2+); p-tolylazanide
IUPAC Name: dichloroplatinum(2+); (4-methylphenyl)azanide
SYSTEMATIC NAME: bis(chloranyl)platinum(2+); (4-methylphenyl)azanide
MOLECULAR FORMULA: C14H16Cl2N2Pt
MOLECULAR WEIGHT: 478.27424
SMILES: CC1=CC=C(C=C1)[NH-].CC1=CC=C(C=C1)[NH-].Cl[Pt+2]Cl
Structure:
CAS RN: 3197-12-4
CAS Name: 2-acetamidoethyl(trimethyl)ammonium iodide
OPENEYE Name: 2-acetamidoethyl(trimethyl)ammonium iodide
IUPAC Name: 2-acetamidoethyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 2-acetamidoethyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C7H17IN2O
MOLECULAR WEIGHT: 272.12715
SMILES: CC(=O)NCC[N+](C)(C)C.[I-]
Structure:
CAS RN: 91554-99-3
CAS Name: 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
OPENEYE Name: 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
IUPAC Name: 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
SYSTEMATIC NAME: 2-(methylamino)-1-(3,4,5-trimethoxyphenyl)ethanol hydrochloride
MOLECULAR FORMULA: C12H20ClNO4
MOLECULAR WEIGHT: 277.7445
SMILES: CNCC(C1=CC(=C(C(=C1)OC)OC)OC)O.Cl
Structure:
CAS RN: 3060-16-0
CAS Name: 3-(2,3-dimethylphenyl)-2-methyl-4-quinazolinone hydrochloride
OPENEYE Name: 3-(2,3-dimethylphenyl)-2-methyl-quinazolin-4-one hydrochloride
IUPAC Name: 3-(2,3-dimethylphenyl)-2-methylquinazolin-4-one hydrochloride
SYSTEMATIC NAME: 3-(2,3-dimethylphenyl)-2-methyl-quinazolin-4-one hydrochloride
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: CC1=C(C(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C)C.Cl
Structure:
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