CAS RN: 53587-16-9
CAS Name: 2-methoxy-4-propan-2-ylphenol
OPENEYE Name: 4-isopropyl-2-methoxy-phenol
IUPAC Name: 2-methoxy-4-propan-2-ylphenol
SYSTEMATIC NAME: 2-methoxy-4-propan-2-yl-phenol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC(C)C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 53583-75-8
CAS Name: 3-triethylstannylpyrrolidine-2,5-dione
OPENEYE Name: 3-triethylstannylpyrrolidine-2,5-dione
IUPAC Name: 3-triethylstannylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-triethylstannylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H19NO2Sn
MOLECULAR WEIGHT: 303.97336
SMILES: CC[Sn](CC)(CC)C1CC(=O)NC1=O
Structure:
CAS RN: 53552-01-5
CAS Name: N-[4-(2,4-dichlorophenoxy)phenyl]formamide
OPENEYE Name: N-[4-(2,4-dichlorophenoxy)phenyl]formamide
IUPAC Name: N-[4-(2,4-dichlorophenoxy)phenyl]formamide
SYSTEMATIC NAME: N-[4-[2,4-bis(chloranyl)phenoxy]phenyl]methanamide
MOLECULAR FORMULA: C13H9Cl2NO2
MOLECULAR WEIGHT: 282.12206
SMILES: C1=CC(=CC=C1NC=O)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 53551-92-1
CAS Name: 1-ethenyl-3-methylpyrazole
OPENEYE Name: 3-methyl-1-vinyl-pyrazole
IUPAC Name: 1-ethenyl-3-methylpyrazole
SYSTEMATIC NAME: 1-ethenyl-3-methyl-pyrazole
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: CC1=NN(C=C1)C=C
Structure:
CAS RN: 53478-18-5
CAS Name: (3-hydroxy-4-oxobutyl)phosphonic acid
OPENEYE Name: (3-hydroxy-4-oxo-butyl)phosphonic acid
IUPAC Name: (3-hydroxy-4-oxobutyl)phosphonic acid
SYSTEMATIC NAME: (3-oxidanyl-4-oxidanylidene-butyl)phosphonic acid
MOLECULAR FORMULA: C4H9O5P
MOLECULAR WEIGHT: 168.085021
SMILES: C(CP(=O)(O)O)C(C=O)O
Structure:
CAS RN: 53413-67-5
CAS Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
OPENEYE Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitro-benzene
IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
SYSTEMATIC NAME: 1-(bromomethyl)-4,5-dimethoxy-2-nitro-benzene
MOLECULAR FORMULA: C9H10BrNO4
MOLECULAR WEIGHT: 276.084
SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Structure:
CAS RN: 53400-41-2
CAS Name: 7,8-dihydro-6H-quinolin-5-one
OPENEYE Name: 7,8-dihydro-6H-quinolin-5-one
IUPAC Name: 7,8-dihydro-6H-quinolin-5-one
SYSTEMATIC NAME: 7,8-dihydro-6H-quinolin-5-one
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C1CC2=C(C=CC=N2)C(=O)C1
Structure:
CAS RN: 53380-26-0
CAS Name: 2-(ethylsulfinylmethyl)phenol
OPENEYE Name: 2-(ethylsulfinylmethyl)phenol
IUPAC Name: 2-(ethylsulfinylmethyl)phenol
SYSTEMATIC NAME: 2-(ethylsulfinylmethyl)phenol
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: CCS(=O)CC1=CC=CC=C1O
Structure:
CAS RN: 53363-55-6
CAS Name: 2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
OPENEYE Name: 2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
IUPAC Name: 2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3-(hydroxymethyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)CO)O
Structure:
CAS RN: 53341-66-5
CAS Name: 3-anilino-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-anilino-3-oxo-propanoate
IUPAC Name: ethyl 3-anilino-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-3-phenylazanyl-propanoate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: CCOC(=O)CC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 53339-59-6
CAS Name: 3,7-dimethyl-6-octen-1-amine
OPENEYE Name: 3,7-dimethyloct-6-en-1-amine
IUPAC Name: 3,7-dimethyloct-6-en-1-amine
SYSTEMATIC NAME: 3,7-dimethyloct-6-en-1-amine
MOLECULAR FORMULA: C10H21N
MOLECULAR WEIGHT: 155.28044
SMILES: CC(CCC=C(C)C)CCN
Structure:
CAS RN: 53122-84-2
CAS Name: 2-[[(4-azidophenyl)-oxomethyl]amino]acetic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-[(4-azidobenzoyl)amino]acetate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-[(4-azidobenzoyl)amino]acetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-[(4-azidophenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C13H11N5O5
MOLECULAR WEIGHT: 317.25694
SMILES: C1CC(=O)N(C1=O)OC(=O)CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
Structure:
CAS RN: 53104-89-5
CAS Name: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride
OPENEYE Name: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride
IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride
SYSTEMATIC NAME: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline hydrochloride
MOLECULAR FORMULA: C9H12ClN3
MOLECULAR WEIGHT: 197.66468
SMILES: C1CN=C(N1)C2=CC(=CC=C2)N.Cl
Structure:
CAS RN: 53065-94-4
CAS Name: 1-(1,3-benzothiazol-2-yl)-1-methylurea
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)-1-methyl-urea
IUPAC Name: 1-(1,3-benzothiazol-2-yl)-1-methylurea
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)-1-methyl-urea
MOLECULAR FORMULA: C9H9N3OS
MOLECULAR WEIGHT: 207.25226
SMILES: CN(C1=NC2=CC=CC=C2S1)C(=O)N
Structure:
CAS RN: 53056-11-4
CAS Name: 2-[[2-(2-chlorophenyl)-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-(2-chlorophenyl)acetyl]amino]acetic acid
IUPAC Name: 2-[[2-(2-chlorophenyl)acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C10H10ClNO3
MOLECULAR WEIGHT: 227.6443
SMILES: C1=CC=C(C(=C1)CC(=O)NCC(=O)O)Cl
Structure:
CAS RN: 52991-56-7
CAS Name: 1-(2-methylphenyl)naphthalene
OPENEYE Name: 1-(o-tolyl)naphthalene
IUPAC Name: 1-(2-methylphenyl)naphthalene
SYSTEMATIC NAME: 1-(2-methylphenyl)naphthalene
MOLECULAR FORMULA: C17H14
MOLECULAR WEIGHT: 218.29306
SMILES: CC1=CC=CC=C1C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 52940-12-2
CAS Name: 1,3,6,8-tetrahydroxyanthracene-9,10-dione
OPENEYE Name: 1,3,6,8-tetrahydroxyanthracene-9,10-dione
IUPAC Name: 1,3,6,8-tetrahydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 1,3,6,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H8O6
MOLECULAR WEIGHT: 272.20972
SMILES: C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O
Structure:
CAS RN: 52904-71-9
CAS Name: 4,7-dimethoxy-5-methyl-2,3-dihydro-1H-inden-2-amine
OPENEYE Name: 4,7-dimethoxy-5-methyl-indan-2-amine
IUPAC Name: 4,7-dimethoxy-5-methyl-2,3-dihydro-1H-inden-2-amine
SYSTEMATIC NAME: 4,7-dimethoxy-5-methyl-2,3-dihydro-1H-inden-2-amine
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=CC(=C2CC(CC2=C1OC)N)OC
Structure:
CAS RN: 52856-54-9
CAS Name: copper 2,3-dihydroxybenzoate
OPENEYE Name: copper 2,3-dihydroxybenzoate
IUPAC Name: copper 2,3-dihydroxybenzoate
SYSTEMATIC NAME: copper 2,3-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C7H5CuO4+
MOLECULAR WEIGHT: 216.6582
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)[O-].[Cu+2]
Structure:
CAS RN: 52829-66-0
CAS Name: 4-nitro-N-prop-2-ynylbenzamide
OPENEYE Name: 4-nitro-N-prop-2-ynyl-benzamide
IUPAC Name: 4-nitro-N-prop-2-ynylbenzamide
SYSTEMATIC NAME: 4-nitro-N-prop-2-ynyl-benzamide
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C#CCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 52820-78-7
CAS Name: 3-(3-carbamimidoylphenyl)-2-oxopropanoic acid
OPENEYE Name: 3-(3-carbamimidoylphenyl)-2-oxo-propanoic acid
IUPAC Name: 3-(3-carbamimidoylphenyl)-2-oxopropanoic acid
SYSTEMATIC NAME: 3-(3-carbamimidoylphenyl)-2-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1=CC(=CC(=C1)CC(=O)C(=O)O)C(=N)N
Structure:
CAS RN: 52771-02-5
CAS Name: decyl-[2-(4-fluoroanilino)-2-oxoethyl]-dimethylammonium chloride
OPENEYE Name: decyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
IUPAC Name: decyl-[2-(4-fluoroanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: decyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C20H34ClFN2O
MOLECULAR WEIGHT: 372.948163
SMILES: CCCCCCCCCC[N+](C)(C)CC(=O)NC1=CC=C(C=C1)F.[Cl-]
Structure:
CAS RN: 52715-11-4
CAS Name: 4-amino-N-(1H-benzimidazol-2-yl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(1H-benzimidazol-2-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-(1H-benzimidazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(1H-benzimidazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: C1=CC=C2C(=C1)NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 52711-63-4
CAS Name: 2,3-bis(phenylmethyl)naphthalene-1,4-dione
OPENEYE Name: 2,3-dibenzylnaphthalene-1,4-dione
IUPAC Name: 2,3-dibenzylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(phenylmethyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C24H18O2
MOLECULAR WEIGHT: 338.39852
SMILES: C1=CC=C(C=C1)CC2=C(C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4
Structure:
CAS RN: 52658-82-9
CAS Name: 2-[bis[2-(octylamino)ethyl]amino]acetic acid hydrochloride
OPENEYE Name: 2-[bis[2-(octylamino)ethyl]amino]acetic acid hydrochloride
IUPAC Name: 2-[bis[2-(octylamino)ethyl]amino]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[bis[2-(octylamino)ethyl]amino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C22H48ClN3O2
MOLECULAR WEIGHT: 422.08842
SMILES: CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O.Cl
Structure:
CAS RN: 52627-01-7
CAS Name: 2,3-bis(2-methylpropyl)-1-naphthalenesulfonate
OPENEYE Name: 2,3-diisobutylnaphthalene-1-sulfonate
IUPAC Name: 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate
SYSTEMATIC NAME: 2,3-bis(2-methylpropyl)naphthalene-1-sulfonate
MOLECULAR FORMULA: C18H23O3S-
MOLECULAR WEIGHT: 319.43842
SMILES: CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-]
Structure:
CAS RN: 52602-27-4
CAS Name: 9-methyl-3-carbazolol
OPENEYE Name: 9-methylcarbazol-3-ol
IUPAC Name: 9-methylcarbazol-3-ol
SYSTEMATIC NAME: 9-methylcarbazol-3-ol
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: CN1C2=C(C=C(C=C2)O)C3=CC=CC=C31
Structure:
CAS RN: 52600-52-9
CAS Name: 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate
IUPAC Name: ethyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-2-methyl-6-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: CCOC(=O)C1=C(NC(=O)C(=C1)C#N)C
Structure:
CAS RN: 52558-70-0
CAS Name: 4-(1-oxododecylamino)butanoic acid
OPENEYE Name: 4-(dodecanoylamino)butanoic acid
IUPAC Name: 4-(dodecanoylamino)butanoic acid
SYSTEMATIC NAME: 4-(dodecanoylamino)butanoic acid
MOLECULAR FORMULA: C16H31NO3
MOLECULAR WEIGHT: 285.42224
SMILES: CCCCCCCCCCCC(=O)NCCCC(=O)O
Structure:
CAS RN: 52457-55-3
CAS Name: dipotassium decanedioate
OPENEYE Name: dipotassium decanedioate
IUPAC Name: dipotassium decanedioate
SYSTEMATIC NAME: dipotassium decanedioate
MOLECULAR FORMULA: C10H16K2O4
MOLECULAR WEIGHT: 278.42824
SMILES: C(CCCCC(=O)[O-])CCCC(=O)[O-].[K+].[K+]
Structure:
CAS RN: 52423-56-0
CAS Name: 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride
OPENEYE Name: 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide hydrochloride
IUPAC Name: 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride
SYSTEMATIC NAME: 4-azanyl-5-bromanyl-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide hydrochloride
MOLECULAR FORMULA: C14H23BrClN3O2
MOLECULAR WEIGHT: 380.70832
SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br.Cl
Structure:
CAS RN: 52413-68-0
CAS Name: 6-chloro-4-(trichloromethyl)-2-pyridinamine
OPENEYE Name: 6-chloro-4-(trichloromethyl)pyridin-2-amine
IUPAC Name: 6-chloro-4-(trichloromethyl)pyridin-2-amine
SYSTEMATIC NAME: 6-chloranyl-4-(trichloromethyl)pyridin-2-amine
MOLECULAR FORMULA: C6H4Cl4N2
MOLECULAR WEIGHT: 245.92136
SMILES: C1=C(C=C(N=C1N)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 52382-30-6
CAS Name: 2-(trichloromethyl)benzoyl chloride
OPENEYE Name: 2-(trichloromethyl)benzoyl chloride
IUPAC Name: 2-(trichloromethyl)benzoyl chloride
SYSTEMATIC NAME: 2-(trichloromethyl)benzoyl chloride
MOLECULAR FORMULA: C8H4Cl4O
MOLECULAR WEIGHT: 257.92876
SMILES: C1=CC=C(C(=C1)C(=O)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 76716-56-8
CAS Name: 2-(trichloromethyl)benzoyl chloride
OPENEYE Name: 2-(trichloromethyl)benzoyl chloride
IUPAC Name: 2-(trichloromethyl)benzoyl chloride
SYSTEMATIC NAME: 2-(trichloromethyl)benzoyl chloride
MOLECULAR FORMULA: C8H4Cl4O
MOLECULAR WEIGHT: 257.92876
SMILES: C1=CC=C(C(=C1)C(=O)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 52373-10-1
CAS Name: 6-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
OPENEYE Name: N-isopropyl-6-methoxy-tetralin-1-amine
IUPAC Name: 6-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SYSTEMATIC NAME: 6-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CC(C)NC1CCCC2=C1C=CC(=C2)OC
Structure:
No comments:
Post a Comment