CAS RN: 78987-45-8
CAS Name: N-tert-butyl-N'-(triphenylmethyl)methanediimine
OPENEYE Name: N-tert-butyl-N'-trityl-methanediimine
IUPAC Name: N-tert-butyl-N'-tritylmethanediimine
SYSTEMATIC NAME: N-tert-butyl-N'-(triphenylmethyl)methanediimine
MOLECULAR FORMULA: C24H24N2
MOLECULAR WEIGHT: 340.46076
SMILES: CC(C)(C)N=C=NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 35975-58-7
CAS Name: N-di(propan-2-yloxy)phosphoryl-2-methoxyethanamine
OPENEYE Name: N-diisopropoxyphosphoryl-2-methoxy-ethanamine
IUPAC Name: N-di(propan-2-yloxy)phosphoryl-2-methoxyethanamine
SYSTEMATIC NAME: N-di(propan-2-yloxy)phosphoryl-2-methoxy-ethanamine
MOLECULAR FORMULA: C9H22NO4P
MOLECULAR WEIGHT: 239.249041
SMILES: CC(C)OP(=O)(NCCOC)OC(C)C
Structure:
CAS RN: 41287-67-6
CAS Name: 1-(3-methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrobenzene
OPENEYE Name: 1-(3-methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonyl-2-nitro-benzene
IUPAC Name: 1-(3-methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonyl-2-nitrobenzene
SYSTEMATIC NAME: 1-(3-methylphenoxy)-4-[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonyl-2-nitro-benzene
MOLECULAR FORMULA: C26H20N2O8S
MOLECULAR WEIGHT: 520.5106
SMILES: CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=CC(=C4)C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 25167-94-6
CAS Name: (4-nitrophenyl)-[2-(phenylmethyl)-1-aziridinyl]methanone
OPENEYE Name: (2-benzylaziridin-1-yl)-(4-nitrophenyl)methanone
IUPAC Name: (2-benzylaziridin-1-yl)-(4-nitrophenyl)methanone
SYSTEMATIC NAME: (4-nitrophenyl)-[2-(phenylmethyl)aziridin-1-yl]methanone
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1C(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3
Structure:
CAS RN: 25276-26-0
CAS Name: 2-methyl-N,3-diphenyl-1-aziridinecarboxamide
OPENEYE Name: 2-methyl-N,3-diphenyl-aziridine-1-carboxamide
IUPAC Name: 2-methyl-N,3-diphenylaziridine-1-carboxamide
SYSTEMATIC NAME: 2-methyl-N,3-diphenyl-aziridine-1-carboxamide
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: CC1C(N1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 26833-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H39NO9
MOLECULAR WEIGHT: 545.62126
SMILES: CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
Structure:
CAS RN: 36811-70-8
CAS Name: 2,3-dihydroimidazo[1,2-f]phenanthridine
OPENEYE Name: 2,3-dihydroimidazo[1,2-f]phenanthridine
IUPAC Name: 2,3-dihydroimidazo[1,2-f]phenanthridine
SYSTEMATIC NAME: 2,3-dihydroimidazo[1,2-f]phenanthridine
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1CN2C3=CC=CC=C3C4=CC=CC=C4C2=N1
Structure:
CAS RN: 3590-48-5
CAS Name: 1-[4-(methylthio)phenyl]-2-(4-nitrophenyl)ethanol
OPENEYE Name: 1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol
IUPAC Name: 1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol
SYSTEMATIC NAME: 1-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)ethanol
MOLECULAR FORMULA: C15H15NO3S
MOLECULAR WEIGHT: 289.3495
SMILES: CSC1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 33024-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC
Structure:
CAS RN: 33419-42-0
CAS Name: (5S,5aR,8aR)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5S,5aR,8aR)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5S,5aR,8aR)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5S,5aR,8aR)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[[2-methyl-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C29H32O13
MOLECULAR WEIGHT: 588.55658
SMILES: CC1OCC2C(O1)C(C(C(O2)O[C@H]3[C@H]4COC(=O)[C@@H]4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
Structure:
CAS RN: 20430-72-2
CAS Name: formic acid (3,4-dimethoxyphenyl) ester
OPENEYE Name: (3,4-dimethoxyphenyl) formate
IUPAC Name: (3,4-dimethoxyphenyl) formate
SYSTEMATIC NAME: (3,4-dimethoxyphenyl) methanoate
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: COC1=C(C=C(C=C1)OC=O)OC
Structure:
CAS RN: 154862-43-8
CAS Name: 1,2,4,5-tetrakis(bromomethyl)benzene
OPENEYE Name: 1,2,4,5-tetrakis(bromomethyl)benzene
IUPAC Name: 1,2,4,5-tetrakis(bromomethyl)benzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(bromomethyl)benzene
MOLECULAR FORMULA: C10H10Br4
MOLECULAR WEIGHT: 449.8024
SMILES: C1=C(C(=CC(=C1CBr)CBr)CBr)CBr
Structure:
CAS RN: 18340-52-8
CAS Name: 1,1,1,2-tetrachloro-2-methoxyethane
OPENEYE Name: 1,1,1,2-tetrachloro-2-methoxy-ethane
IUPAC Name: 1,1,1,2-tetrachloro-2-methoxyethane
SYSTEMATIC NAME: 1,1,1,2-tetrakis(chloranyl)-2-methoxy-ethane
MOLECULAR FORMULA: C3H4Cl4O
MOLECULAR WEIGHT: 197.87526
SMILES: COC(C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 7425-81-2
CAS Name: 1,3-bis(iodomethyl)benzene
OPENEYE Name: 1,3-bis(iodomethyl)benzene
IUPAC Name: 1,3-bis(iodomethyl)benzene
SYSTEMATIC NAME: 1,3-bis(iodanylmethyl)benzene
MOLECULAR FORMULA: C8H8I2
MOLECULAR WEIGHT: 357.95806
SMILES: C1=CC(=CC(=C1)CI)CI
Structure:
CAS RN: 3062-66-6
CAS Name: 1,4-bis(iodomethyl)benzene
OPENEYE Name: 1,4-bis(iodomethyl)benzene
IUPAC Name: 1,4-bis(iodomethyl)benzene
SYSTEMATIC NAME: 1,4-bis(iodanylmethyl)benzene
MOLECULAR FORMULA: C8H8I2
MOLECULAR WEIGHT: 357.95806
SMILES: C1=CC(=CC=C1CI)CI
Structure:
CAS RN: 95598-13-3
CAS Name: 3-(2-methoxyphenyl)-2-methylbenzo[f]benzimidazole-4,9-dione
OPENEYE Name: 3-(2-methoxyphenyl)-2-methyl-benzo[f]benzimidazole-4,9-dione
IUPAC Name: 3-(2-methoxyphenyl)-2-methylbenzo[f]benzimidazole-4,9-dione
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2-methyl-benzo[f]benzimidazole-4,9-dione
MOLECULAR FORMULA: C19H14N2O3
MOLECULAR WEIGHT: 318.32606
SMILES: CC1=NC2=C(N1C3=CC=CC=C3OC)C(=O)C4=CC=CC=C4C2=O
Structure:
CAS RN: 25679-91-8
CAS Name: N-[butylamino(oxo)methyl]-2-chloroacetamide
OPENEYE Name: N-(butylcarbamoyl)-2-chloro-acetamide
IUPAC Name: N-(butylcarbamoyl)-2-chloroacetamide
SYSTEMATIC NAME: N-(butylcarbamoyl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C7H13ClN2O2
MOLECULAR WEIGHT: 192.64332
SMILES: CCCCNC(=O)NC(=O)CCl
Structure:
CAS RN: 35871-55-7
CAS Name: 1,6-bis[3-(sulfothio)propylamino]hexane
OPENEYE Name: 1,6-bis(3-sulfosulfanylpropylamino)hexane
IUPAC Name: 1,6-bis(3-sulfosulfanylpropylamino)hexane
SYSTEMATIC NAME: 1,6-bis(3-sulfosulfanylpropylamino)hexane
MOLECULAR FORMULA: C12H28N2O6S4
MOLECULAR WEIGHT: 424.62052
SMILES: C(CCCNCCCSS(=O)(=O)O)CCNCCCSS(=O)(=O)O
Structure:
CAS RN: 35871-57-9
CAS Name: 1,8-bis[3-(sulfothio)propylamino]octane
OPENEYE Name: 1,8-bis(3-sulfosulfanylpropylamino)octane
IUPAC Name: 1,8-bis(3-sulfosulfanylpropylamino)octane
SYSTEMATIC NAME: 1,8-bis(3-sulfosulfanylpropylamino)octane
MOLECULAR FORMULA: C14H32N2O6S4
MOLECULAR WEIGHT: 452.67368
SMILES: C(CCCCNCCCSS(=O)(=O)O)CCCNCCCSS(=O)(=O)O
Structure:
CAS RN: 181123-11-5
CAS Name: 5-chloro-3-nitro-2-pyridinecarbonitrile
OPENEYE Name: 5-chloro-3-nitro-pyridine-2-carbonitrile
IUPAC Name: 5-chloro-3-nitropyridine-2-carbonitrile
SYSTEMATIC NAME: 5-chloranyl-3-nitro-pyridine-2-carbonitrile
MOLECULAR FORMULA: C6H2ClN3O2
MOLECULAR WEIGHT: 183.55198
SMILES: C1=C(C(=NC=C1Cl)C#N)[N+](=O)[O-]
Structure:
CAS RN: 7402-27-9
CAS Name: 1-(4-iodobutyl)-4-methoxybenzene
OPENEYE Name: 1-(4-iodobutyl)-4-methoxy-benzene
IUPAC Name: 1-(4-iodobutyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(4-iodanylbutyl)-4-methoxy-benzene
MOLECULAR FORMULA: C11H15IO
MOLECULAR WEIGHT: 290.14067
SMILES: COC1=CC=C(C=C1)CCCCI
Structure:
CAS RN: 66162-60-5
CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3,4,5-trimethoxyphenyl)acetate
IUPAC Name: ethyl 2-(3,4,5-trimethoxyphenyl)acetate
SYSTEMATIC NAME: ethyl 2-(3,4,5-trimethoxyphenyl)ethanoate
MOLECULAR FORMULA: C13H18O5
MOLECULAR WEIGHT: 254.27902
SMILES: CCOC(=O)CC1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 2313-61-3
CAS Name: 1-(4-chlorobutyl)-4-methoxybenzene
OPENEYE Name: 1-(4-chlorobutyl)-4-methoxy-benzene
IUPAC Name: 1-(4-chlorobutyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(4-chloranylbutyl)-4-methoxy-benzene
MOLECULAR FORMULA: C11H15ClO
MOLECULAR WEIGHT: 198.6892
SMILES: COC1=CC=C(C=C1)CCCCCl
Structure:
CAS RN: 37741-52-9
CAS Name: 5-(4-morpholinyl)-7$l^{6}-thiabicyclo[3.2.0]heptane 7,7-dioxide
OPENEYE Name: 5-morpholino-7$l^{6}-thiabicyclo[3.2.0]heptane 7,7-dioxide
IUPAC Name: 5-morpholin-4-yl-7$l^{6}-thiabicyclo[3.2.0]heptane 7,7-dioxide
SYSTEMATIC NAME: 5-morpholin-4-yl-7$l^{6}-thiabicyclo[3.2.0]heptane 7,7-dioxide
MOLECULAR FORMULA: C10H17NO3S
MOLECULAR WEIGHT: 231.31188
SMILES: C1CC2C(C1)(CS2(=O)=O)N3CCOCC3
Structure:
CAS RN: 65907-88-2
CAS Name: (2,4-dichlorophenyl)-(4-fluorophenyl)methanone
OPENEYE Name: (2,4-dichlorophenyl)-(4-fluorophenyl)methanone
IUPAC Name: (2,4-dichlorophenyl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (2,4-dichlorophenyl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C13H7Cl2FO
MOLECULAR WEIGHT: 269.098483
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)F
Structure:
CAS RN: 768-36-5
CAS Name: 4-oxido-2-pyrazin-4-iumcarboxamide
OPENEYE Name: 4-oxidopyrazin-4-ium-2-carboxamide
IUPAC Name: 4-oxidopyrazin-4-ium-2-carboxamide
SYSTEMATIC NAME: 4-oxidanidylpyrazin-4-ium-2-carboxamide
MOLECULAR FORMULA: C5H5N3O2
MOLECULAR WEIGHT: 139.1121
SMILES: C1=C[N+](=CC(=N1)C(=O)N)[O-]
Structure:
CAS RN: 38591-36-5
CAS Name: 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
OPENEYE Name: 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitro-benzene
IUPAC Name: 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitrobenzene
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenoxy)-2-methoxy-5-methyl-4-nitro-benzene
MOLECULAR FORMULA: C16H17NO6
MOLECULAR WEIGHT: 319.30928
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 35323-09-2
CAS Name: 2-(2-iodo-4,5-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(2-iodo-4,5-dimethoxy-phenyl)acetic acid
IUPAC Name: 2-(2-iodo-4,5-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-iodanyl-4,5-dimethoxy-phenyl)ethanoic acid
MOLECULAR FORMULA: C10H11IO4
MOLECULAR WEIGHT: 322.09641
SMILES: COC1=C(C=C(C(=C1)CC(=O)O)I)OC
Structure:
CAS RN: 41250-31-1
CAS Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
OPENEYE Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
IUPAC Name: 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
SYSTEMATIC NAME: 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
MOLECULAR FORMULA: C28H20N2O4S3
MOLECULAR WEIGHT: 544.6644
SMILES: CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)C)N=C=S)N=C=S
Structure:
CAS RN: 4124-88-3
CAS Name: 2-isothiocyanato-4-(3-isothiocyanato-4-phenoxyphenyl)sulfonyl-1-phenoxybenzene
OPENEYE Name: 2-isothiocyanato-4-(3-isothiocyanato-4-phenoxy-phenyl)sulfonyl-1-phenoxy-benzene
IUPAC Name: 2-isothiocyanato-4-(3-isothiocyanato-4-phenoxyphenyl)sulfonyl-1-phenoxybenzene
SYSTEMATIC NAME: 2-isothiocyanato-4-(3-isothiocyanato-4-phenoxy-phenyl)sulfonyl-1-phenoxy-benzene
MOLECULAR FORMULA: C26H16N2O4S3
MOLECULAR WEIGHT: 516.61124
SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=CC=C4)N=C=S)N=C=S
Structure:
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