CAS RN: 12540-69-1
CAS Name: hydrazinylidenemethanedithiolate; manganese
OPENEYE Name: hydrazinylidenemethanedithiolate; manganese
IUPAC Name: hydrazinylidenemethanedithiolate; manganese
SYSTEMATIC NAME: diazanylidenemethanedithiolate; manganese
MOLECULAR FORMULA: C2H4MnN4S4-4
MOLECULAR WEIGHT: 267.278009
SMILES: C(=NN)([S-])[S-].C(=NN)([S-])[S-].[Mn]
Structure:
CAS RN: 17223-83-5
CAS Name: (3E)-3-diazo-1,1-diphenylurea
OPENEYE Name: (3E)-3-diazo-1,1-diphenyl-urea
IUPAC Name: (3E)-3-diazo-1,1-diphenylurea
SYSTEMATIC NAME: (3E)-3-diazo-1,1-diphenyl-urea
MOLECULAR FORMULA: C13H10N4O
MOLECULAR WEIGHT: 238.2447
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N=[N+]=[N-]
Structure:
CAS RN: 31054-25-8
CAS Name: 2-methoxy-4-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]phenol iodide
OPENEYE Name: 2-methoxy-4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]phenol iodide
IUPAC Name: 2-methoxy-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol iodide
SYSTEMATIC NAME: 2-methoxy-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol iodide
MOLECULAR FORMULA: C15H16INO2
MOLECULAR WEIGHT: 369.19751
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)OC.[I-]
Structure:
CAS RN: 39603-61-7
CAS Name: 4-[2-(3,4-dichlorophenyl)ethenyl]pyridine hydrochloride
OPENEYE Name: 4-[2-(3,4-dichlorophenyl)vinyl]pyridine hydrochloride
IUPAC Name: 4-[2-(3,4-dichlorophenyl)ethenyl]pyridine hydrochloride
SYSTEMATIC NAME: 4-[2-(3,4-dichlorophenyl)ethenyl]pyridine hydrochloride
MOLECULAR FORMULA: C13H10Cl3N
MOLECULAR WEIGHT: 286.5842
SMILES: C1=CC(=C(C=C1C=CC2=CC=NC=C2)Cl)Cl.Cl
Structure:
CAS RN: 1071-76-7
CAS Name: 1-butanol; zirconium
OPENEYE Name: butan-1-ol; zirconium
IUPAC Name: butan-1-ol; zirconium
SYSTEMATIC NAME: butan-1-ol; zirconium
MOLECULAR FORMULA: C4H10OZr
MOLECULAR WEIGHT: 165.3456
SMILES: CCCCO.[Zr]
Structure:
CAS RN: 66693-73-0
CAS Name: 1,4-dihydrazinyl-1,4-dioxo-2-butanesulfonic acid; sodium
OPENEYE Name: 1,4-dihydrazino-1,4-dioxo-butane-2-sulfonic acid; sodium
IUPAC Name: 1,4-dihydrazinyl-1,4-dioxobutane-2-sulfonic acid; sodium
SYSTEMATIC NAME: 1,4-bis(diazanyl)-1,4-bis(oxidanylidene)butane-2-sulfonic acid; sodium
MOLECULAR FORMULA: C4H10N4NaO5S
MOLECULAR WEIGHT: 249.20077
SMILES: C(C(C(=O)NN)S(=O)(=O)O)C(=O)NN.[Na]
Structure:
CAS RN: 27325-09-3
CAS Name: 5-[(2-chlorophenoxy)methyl]-1H-imidazole hydrochloride
OPENEYE Name: 5-[(2-chlorophenoxy)methyl]-1H-imidazole hydrochloride
IUPAC Name: 5-[(2-chlorophenoxy)methyl]-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-[(2-chloranylphenoxy)methyl]-1H-imidazole hydrochloride
MOLECULAR FORMULA: C10H10Cl2N2O
MOLECULAR WEIGHT: 245.1052
SMILES: C1=CC=C(C(=C1)OCC2=CN=CN2)Cl.Cl
Structure:
CAS RN: 5697-41-6
CAS Name: dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]sulfonium bromide
OPENEYE Name: dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]sulfonium bromide
IUPAC Name: dimethyl-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanium bromide
SYSTEMATIC NAME: dimethyl-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanium bromide
MOLECULAR FORMULA: C16H17BrOS
MOLECULAR WEIGHT: 337.27458
SMILES: C[S+](C)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2.[Br-]
Structure:
CAS RN: 58028-49-2
CAS Name: N-[2-(diethylamino)ethyl]-N-methyl-4-nitrobenzamide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]-N-methyl-4-nitro-benzamide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-N-methyl-4-nitrobenzamide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-N-methyl-4-nitro-benzamide hydrochloride
MOLECULAR FORMULA: C14H22ClN3O3
MOLECULAR WEIGHT: 315.79578
SMILES: CCN(CC)CCN(C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl
Structure:
CAS RN: 20320-54-1
CAS Name: 2-[2-(diethylamino)ethyl]isoindole-1,3-dione hydrochloride
OPENEYE Name: 2-[2-(diethylamino)ethyl]isoindoline-1,3-dione hydrochloride
IUPAC Name: 2-[2-(diethylamino)ethyl]isoindole-1,3-dione hydrochloride
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]isoindole-1,3-dione hydrochloride
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: CCN(CC)CCN1C(=O)C2=CC=CC=C2C1=O.Cl
Structure:
CAS RN: 45726-44-1
CAS Name: 4,6-diamino-1H-pyrimidine-2-thione; sodium
OPENEYE Name: 4,6-diamino-1H-pyrimidine-2-thione; sodium
IUPAC Name: 4,6-diamino-1H-pyrimidine-2-thione; sodium
SYSTEMATIC NAME: 4,6-bis(azanyl)-1H-pyrimidine-2-thione; sodium
MOLECULAR FORMULA: C4H6N4NaS
MOLECULAR WEIGHT: 165.17201
SMILES: C1=C(NC(=S)N=C1N)N.[Na]
Structure:
CAS RN: 18467-82-8
CAS Name: 5-amino-6,6-bis(ethylthio)hexane-1,2,3,4-tetrol hydrochloride
OPENEYE Name: 5-amino-6,6-bis(ethylsulfanyl)hexane-1,2,3,4-tetrol hydrochloride
IUPAC Name: 5-amino-6,6-bis(ethylsulfanyl)hexane-1,2,3,4-tetrol hydrochloride
SYSTEMATIC NAME: 5-azanyl-6,6-bis(ethylsulfanyl)hexane-1,2,3,4-tetrol hydrochloride
MOLECULAR FORMULA: C10H24ClNO4S2
MOLECULAR WEIGHT: 321.88486
SMILES: CCSC(C(C(C(C(CO)O)O)O)N)SCC.Cl
Structure:
CAS RN: 10387-40-3
CAS Name: ethanethioic S-acid; potassium
OPENEYE Name: ethanethioic S-acid; potassium
IUPAC Name: ethanethioic S-acid; potassium
SYSTEMATIC NAME: ethanethioic S-acid; potassium
MOLECULAR FORMULA: C2H4KOS
MOLECULAR WEIGHT: 115.21586
SMILES: CC(=O)S.[K]
Structure:
CAS RN: 19218-78-1
CAS Name: 4-(4-methoxyphenyl)azobenzenesulfonic acid; sodium
OPENEYE Name: 4-(4-methoxyphenyl)azobenzenesulfonic acid; sodium
IUPAC Name: 4-[(4-methoxyphenyl)diazenyl]benzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)diazenyl]benzenesulfonic acid; sodium
MOLECULAR FORMULA: C13H12N2NaO4S
MOLECULAR WEIGHT: 315.30015
SMILES: COC1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O.[Na]
Structure:
CAS RN: 3341-46-6
CAS Name: 2-methyl-2-(methylamino)-1-cyclohexanone hydrochloride
OPENEYE Name: 2-methyl-2-(methylamino)cyclohexanone hydrochloride
IUPAC Name: 2-methyl-2-(methylamino)cyclohexan-1-one hydrochloride
SYSTEMATIC NAME: 2-methyl-2-(methylamino)cyclohexan-1-one hydrochloride
MOLECULAR FORMULA: C8H16ClNO
MOLECULAR WEIGHT: 177.67174
SMILES: CC1(CCCCC1=O)NC.Cl
Structure:
CAS RN: 50807-99-3
CAS Name: 2-(4-aminophenyl)-1-(diaminomethylidene)guanidine hydrochloride
OPENEYE Name: 2-(4-aminophenyl)-1-(diaminomethylene)guanidine hydrochloride
IUPAC Name: 2-(4-aminophenyl)-1-(diaminomethylidene)guanidine hydrochloride
SYSTEMATIC NAME: 2-(4-aminophenyl)-1-[bis(azanyl)methylidene]guanidine hydrochloride
MOLECULAR FORMULA: C8H13ClN6
MOLECULAR WEIGHT: 228.68202
SMILES: C1=CC(=CC=C1N)N=C(N)N=C(N)N.Cl
Structure:
CAS RN: 23987-72-6
CAS Name: N,N'-di(propan-2-yl)carbamimidothioic acid 6-[[(propan-2-ylamino)-propan-2-yliminomethyl]thio]hexyl ester hydrobromide
OPENEYE Name: 2-[6-(N,N'-diisopropylcarbamimidoyl)sulfanylhexyl]-1,3-diisopropyl-isothiourea hydrobromide
IUPAC Name: 6-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylhexyl N,N'-di(propan-2-yl)carbamimidothioate hydrobromide
SYSTEMATIC NAME: 6-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylhexyl N,N'-di(propan-2-yl)carbamimidothioate hydrobromide
MOLECULAR FORMULA: C20H43BrN4S2
MOLECULAR WEIGHT: 483.61622
SMILES: CC(C)NC(=NC(C)C)SCCCCCCSC(=NC(C)C)NC(C)C.Br
Structure:
CAS RN: 68219-19-2
CAS Name: N-(6-methoxy-4-methyl-8-quinolinyl)-N'-propan-2-ylpentane-1,5-diamine hydrochloride
OPENEYE Name: N'-isopropyl-N-(6-methoxy-4-methyl-8-quinolyl)pentane-1,5-diamine hydrochloride
IUPAC Name: N-(6-methoxy-4-methylquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine hydrochloride
SYSTEMATIC NAME: N-(6-methoxy-4-methyl-quinolin-8-yl)-N'-propan-2-yl-pentane-1,5-diamine hydrochloride
MOLECULAR FORMULA: C19H30ClN3O
MOLECULAR WEIGHT: 351.914
SMILES: CC1=C2C=C(C=C(C2=NC=C1)NCCCCCNC(C)C)OC.Cl
Structure:
CAS RN: 88756-01-8
CAS Name: N4-(6-methoxy-4-methyl-8-quinolinyl)-N1-propan-2-ylpentane-1,4-diamine hydrochloride
OPENEYE Name: N1-isopropyl-N4-(6-methoxy-4-methyl-8-quinolyl)pentane-1,4-diamine hydrochloride
IUPAC Name: 4-N-(6-methoxy-4-methylquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamine hydrochloride
SYSTEMATIC NAME: N4-(6-methoxy-4-methyl-quinolin-8-yl)-N1-propan-2-yl-pentane-1,4-diamine hydrochloride
MOLECULAR FORMULA: C19H30ClN3O
MOLECULAR WEIGHT: 351.914
SMILES: CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCNC(C)C)OC.Cl
Structure:
CAS RN: 6625-17-8
CAS Name: N-(6-methoxy-8-quinolinyl)-N'-pentan-3-ylpropane-1,3-diamine hydrobromide
OPENEYE Name: N'-(1-ethylpropyl)-N-(6-methoxy-8-quinolyl)propane-1,3-diamine hydrobromide
IUPAC Name: N-(6-methoxyquinolin-8-yl)-N'-pentan-3-ylpropane-1,3-diamine hydrobromide
SYSTEMATIC NAME: N-(6-methoxyquinolin-8-yl)-N'-pentan-3-yl-propane-1,3-diamine hydrobromide
MOLECULAR FORMULA: C18H28BrN3O
MOLECULAR WEIGHT: 382.33842
SMILES: CCC(CC)NCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.Br
Structure:
CAS RN: 88927-83-7
CAS Name: 1-amino-1-(2-hydroxyethyl)urea hydrochloride
OPENEYE Name: 1-amino-1-(2-hydroxyethyl)urea hydrochloride
IUPAC Name: 1-amino-1-(2-hydroxyethyl)urea hydrochloride
SYSTEMATIC NAME: 1-azanyl-1-(2-hydroxyethyl)urea hydrochloride
MOLECULAR FORMULA: C3H10ClN3O2
MOLECULAR WEIGHT: 155.5834
SMILES: C(CO)N(C(=O)N)N.Cl
Structure:
CAS RN: 39753-78-1
CAS Name: 2-hydrazinylacetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-hydrazinoacetate hydrochloride
IUPAC Name: methyl 2-hydrazinylacetate hydrochloride
SYSTEMATIC NAME: methyl 2-diazanylethanoate hydrochloride
MOLECULAR FORMULA: C3H9ClN2O2
MOLECULAR WEIGHT: 140.56876
SMILES: COC(=O)CNN.Cl
Structure:
CAS RN: 69727-08-8
CAS Name: 3-ethoxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]propanoic acid; sodium
OPENEYE Name: 3-ethoxy-3-oxo-2-[(2-phenylacetyl)amino]propanoic acid; sodium
IUPAC Name: 3-ethoxy-3-oxo-2-[(2-phenylacetyl)amino]propanoic acid; sodium
SYSTEMATIC NAME: 3-ethoxy-3-oxidanylidene-2-(2-phenylethanoylamino)propanoic acid; sodium
MOLECULAR FORMULA: C13H15NNaO5
MOLECULAR WEIGHT: 288.25167
SMILES: CCOC(=O)C(C(=O)O)NC(=O)CC1=CC=CC=C1.[Na]
Structure:
CAS RN: 7596-08-9
CAS Name: acetic acid [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ester iodide
OPENEYE Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] acetate iodide
IUPAC Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] acetate iodide
SYSTEMATIC NAME: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl] ethanoate iodide
MOLECULAR FORMULA: C17H16INO2S
MOLECULAR WEIGHT: 425.28391
SMILES: CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)OC(=O)C)C.[I-]
Structure:
CAS RN: 12550-08-2
CAS Name: copper; 2,3,4,5-tetrahydroxyhexanedioic acid
OPENEYE Name: copper; 2,3,4,5-tetrahydroxyhexanedioic acid
IUPAC Name: copper; 2,3,4,5-tetrahydroxyhexanedioic acid
SYSTEMATIC NAME: copper; 2,3,4,5-tetrakis(oxidanyl)hexanedioic acid
MOLECULAR FORMULA: C6H10CuO8
MOLECULAR WEIGHT: 273.6848
SMILES: C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O.[Cu]
Structure:
CAS RN: 7509-54-8
CAS Name: (2,3-dimethylphenyl)methyl-(2-hydroxyethyl)-dimethylammonium bromide
OPENEYE Name: (2,3-dimethylphenyl)methyl-(2-hydroxyethyl)-dimethyl-ammonium bromide
IUPAC Name: (2,3-dimethylphenyl)methyl-(2-hydroxyethyl)-dimethylazanium bromide
SYSTEMATIC NAME: (2,3-dimethylphenyl)methyl-(2-hydroxyethyl)-dimethyl-azanium bromide
MOLECULAR FORMULA: C13H22BrNO
MOLECULAR WEIGHT: 288.22388
SMILES: CC1=C(C(=CC=C1)C[N+](C)(C)CCO)C.[Br-]
Structure:
CAS RN: 7596-03-4
CAS Name: (2,3-dimethylphenyl)methyl-(3-hydroxypropyl)-dimethylammonium bromide
OPENEYE Name: (2,3-dimethylphenyl)methyl-(3-hydroxypropyl)-dimethyl-ammonium bromide
IUPAC Name: (2,3-dimethylphenyl)methyl-(3-hydroxypropyl)-dimethylazanium bromide
SYSTEMATIC NAME: (2,3-dimethylphenyl)methyl-dimethyl-(3-oxidanylpropyl)azanium bromide
MOLECULAR FORMULA: C14H24BrNO
MOLECULAR WEIGHT: 302.25046
SMILES: CC1=C(C(=CC=C1)C[N+](C)(C)CCCO)C.[Br-]
Structure:
CAS RN: 7509-53-7
CAS Name: N,N-bis(2-chloroethyl)-2-(4-methoxyphenyl)ethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-(4-methoxyphenyl)ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-(4-methoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-(4-methoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C13H20Cl3NO
MOLECULAR WEIGHT: 312.663
SMILES: COC1=CC=C(C=C1)CCN(CCCl)CCCl.Cl
Structure:
CAS RN: 7506-83-4
CAS Name: hexylphosphonic acid; zinc
OPENEYE Name: hexylphosphonic acid; zinc
IUPAC Name: hexylphosphonic acid; zinc
SYSTEMATIC NAME: hexylphosphonic acid; zinc
MOLECULAR FORMULA: C6H15O3PZn
MOLECULAR WEIGHT: 231.564261
SMILES: CCCCCCP(=O)(O)O.[Zn]
Structure:
CAS RN: 7506-79-8
CAS Name: 4-phosphonobutylphosphonic acid; zinc
OPENEYE Name: 4-phosphonobutylphosphonic acid; zinc
IUPAC Name: 4-phosphonobutylphosphonic acid; zinc
SYSTEMATIC NAME: 4-phosphonobutylphosphonic acid; zinc
MOLECULAR FORMULA: C4H12O6P2Zn
MOLECULAR WEIGHT: 283.491002
SMILES: C(CCP(=O)(O)O)CP(=O)(O)O.[Zn]
Structure:
CAS RN: 7702-51-4
CAS Name: 3-phosphonopropylphosphonic acid; zinc
OPENEYE Name: 3-phosphonopropylphosphonic acid; zinc
IUPAC Name: 3-phosphonopropylphosphonic acid; zinc
SYSTEMATIC NAME: 3-phosphonopropylphosphonic acid; zinc
MOLECULAR FORMULA: C3H10O6P2Zn
MOLECULAR WEIGHT: 269.464422
SMILES: C(CP(=O)(O)O)CP(=O)(O)O.[Zn]
Structure:
CAS RN: 7506-78-7
CAS Name: 2-bromoethyl-(2-hydroxyethyl)-dimethylammonium bromide
OPENEYE Name: 2-bromoethyl-(2-hydroxyethyl)-dimethyl-ammonium bromide
IUPAC Name: 2-bromoethyl-(2-hydroxyethyl)-dimethylazanium bromide
SYSTEMATIC NAME: 2-bromoethyl-(2-hydroxyethyl)-dimethyl-azanium bromide
MOLECULAR FORMULA: C6H15Br2NO
MOLECULAR WEIGHT: 276.9974
SMILES: C[N+](C)(CCO)CCBr.[Br-]
Structure:
CAS RN: 7495-76-3
CAS Name: 2-ethylhexylcarbamodithioic acid; sodium
OPENEYE Name: 2-ethylhexylcarbamodithioic acid; sodium
IUPAC Name: 2-ethylhexylcarbamodithioic acid; sodium
SYSTEMATIC NAME: 2-ethylhexylcarbamodithioic acid; sodium
MOLECULAR FORMULA: C9H19NNaS2
MOLECULAR WEIGHT: 228.37363
SMILES: CCCCC(CC)CNC(=S)S.[Na]
Structure:
CAS RN: 7495-75-2
CAS Name: butylcarbamodithioic acid; sodium
OPENEYE Name: butylcarbamodithioic acid; sodium
IUPAC Name: butylcarbamodithioic acid; sodium
SYSTEMATIC NAME: butylcarbamodithioic acid; sodium
MOLECULAR FORMULA: C5H11NNaS2
MOLECULAR WEIGHT: 172.26731
SMILES: CCCCNC(=S)S.[Na]
Structure:
CAS RN: 7495-64-9
CAS Name: 2-amino-1-(4-methylphenyl)-3-phenyl-1-propanone hydrochloride
OPENEYE Name: 2-amino-3-phenyl-1-(p-tolyl)propan-1-one hydrochloride
IUPAC Name: 2-amino-1-(4-methylphenyl)-3-phenylpropan-1-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(4-methylphenyl)-3-phenyl-propan-1-one hydrochloride
MOLECULAR FORMULA: C16H18ClNO
MOLECULAR WEIGHT: 275.77322
SMILES: CC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)N.Cl
Structure:
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