CAS RN: 94160-14-2
CAS Name: phosphoric acid tris[2-[2-(2-dodecoxyethoxy)ethoxy]ethyl] ester
OPENEYE Name: tris[2-[2-(2-dodecoxyethoxy)ethoxy]ethyl] phosphate
IUPAC Name: tris[2-[2-(2-dodecoxyethoxy)ethoxy]ethyl] phosphate
SYSTEMATIC NAME: tris[2-[2-(2-dodecoxyethoxy)ethoxy]ethyl] phosphate
MOLECULAR FORMULA: C54H111O13P
MOLECULAR WEIGHT: 999.425101
SMILES: CCCCCCCCCCCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCCCCCCCCCCC)OCCOCCOCCOCCCCCCCCCCCC
Structure:
CAS RN: 819850-16-3
CAS Name: 2-(2-pyrimidinyl)propanoic acid
OPENEYE Name: 2-pyrimidin-2-ylpropanoic acid
IUPAC Name: 2-pyrimidin-2-ylpropanoic acid
SYSTEMATIC NAME: 2-pyrimidin-2-ylpropanoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: CC(C1=NC=CC=N1)C(=O)O
Structure:
CAS RN: 891842-50-5
CAS Name: 2-bromo-6-chloroquinoline
OPENEYE Name: 2-bromo-6-chloro-quinoline
IUPAC Name: 2-bromo-6-chloroquinoline
SYSTEMATIC NAME: 2-bromanyl-6-chloranyl-quinoline
MOLECULAR FORMULA: C9H5BrClN
MOLECULAR WEIGHT: 242.4997
SMILES: C1=CC2=C(C=CC(=N2)Br)C=C1Cl
Structure:
CAS RN: 361476-01-9
CAS Name: 5-bromo-1-methylpyrazole
OPENEYE Name: 5-bromo-1-methyl-pyrazole
IUPAC Name: 5-bromo-1-methylpyrazole
SYSTEMATIC NAME: 5-bromanyl-1-methyl-pyrazole
MOLECULAR FORMULA: C4H5BrN2
MOLECULAR WEIGHT: 160.9999
SMILES: CN1C(=CC=N1)Br
Structure:
CAS RN: 740768-99-4
CAS Name: 3-azetidinecarboxamide
OPENEYE Name: azetidine-3-carboxamide
IUPAC Name: azetidine-3-carboxamide
SYSTEMATIC NAME: azetidine-3-carboxamide
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C1C(CN1)C(=O)N
Structure:
CAS RN: 57584-27-7
CAS Name: terbium(3+) trinitrate pentahydrate
OPENEYE Name: terbium(3+) trinitrate pentahydrate
IUPAC Name: terbium(3+) trinitrate pentahydrate
SYSTEMATIC NAME: terbium(3+) trinitrate pentahydrate
MOLECULAR FORMULA: H10N3O14Tb
MOLECULAR WEIGHT: 435.01644
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Tb+3]
Structure:
CAS RN: 786616-54-4
CAS Name: 3-amino-5-fluorobenzoic acid
OPENEYE Name: 3-amino-5-fluoro-benzoic acid
IUPAC Name: 3-amino-5-fluorobenzoic acid
SYSTEMATIC NAME: 3-azanyl-5-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H6FNO2
MOLECULAR WEIGHT: 155.126443
SMILES: C1=C(C=C(C=C1N)F)C(=O)O
Structure:
CAS RN: 882672-05-1
CAS Name: 6-bromo-2-chloroquinazoline
OPENEYE Name: 6-bromo-2-chloro-quinazoline
IUPAC Name: 6-bromo-2-chloroquinazoline
SYSTEMATIC NAME: 6-bromanyl-2-chloranyl-quinazoline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=NC(=NC=C2C=C1Br)Cl
Structure:
CAS RN: 36747-96-3
CAS Name: 1-ethoxy-2-phenylethanol
OPENEYE Name: 1-ethoxy-2-phenyl-ethanol
IUPAC Name: 1-ethoxy-2-phenylethanol
SYSTEMATIC NAME: 1-ethoxy-2-phenyl-ethanol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CCOC(CC1=CC=CC=C1)O
Structure:
CAS RN: 98205-29-9
CAS Name: nitric acid; 2-nitroguanidine
OPENEYE Name: nitric acid; 2-nitroguanidine
IUPAC Name: nitric acid; 2-nitroguanidine
SYSTEMATIC NAME: nitric acid; 2-nitroguanidine
MOLECULAR FORMULA: CH5N5O5
MOLECULAR WEIGHT: 167.0809
SMILES: C(=N[N+](=O)[O-])(N)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 42287-87-6
CAS Name: 3-(3,5-dimethylphenyl)propanoic acid
OPENEYE Name: 3-(3,5-dimethylphenyl)propanoic acid
IUPAC Name: 3-(3,5-dimethylphenyl)propanoic acid
SYSTEMATIC NAME: 3-(3,5-dimethylphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC(=CC(=C1)CCC(=O)O)C
Structure:
CAS RN: 16251-12-0
CAS Name: 1-chloro-2-(methylsulfonylmethyl)benzene
OPENEYE Name: 1-chloro-2-(methylsulfonylmethyl)benzene
IUPAC Name: 1-chloro-2-(methylsulfonylmethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2-(methylsulfonylmethyl)benzene
MOLECULAR FORMULA: C8H9ClO2S
MOLECULAR WEIGHT: 204.67386
SMILES: CS(=O)(=O)CC1=CC=CC=C1Cl
Structure:
CAS RN: 93803-89-5
CAS Name: 7-methyloctanoic acid [3-(7-methyl-1-oxooctoxy)-2,2-bis[(7-methyl-1-oxooctoxy)methyl]propyl] ester
OPENEYE Name: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
IUPAC Name: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
SYSTEMATIC NAME: [3-(7-methyloctanoyloxy)-2,2-bis(7-methyloctanoyloxymethyl)propyl] 7-methyloctanoate
MOLECULAR FORMULA: C41H76O8
MOLECULAR WEIGHT: 697.03734
SMILES: CC(C)CCCCCC(=O)OCC(COC(=O)CCCCCC(C)C)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C
Structure:
CAS RN: 51421-12-6
CAS Name: (3-chlorophenyl)methylhydrazine hydrochloride
OPENEYE Name: (3-chlorophenyl)methylhydrazine hydrochloride
IUPAC Name: (3-chlorophenyl)methylhydrazine hydrochloride
SYSTEMATIC NAME: (3-chlorophenyl)methyldiazane hydrochloride
MOLECULAR FORMULA: C7H10Cl2N2
MOLECULAR WEIGHT: 193.0737
SMILES: C1=CC(=CC(=C1)Cl)CNN.Cl
Structure:
CAS RN: 1208078-30-1
CAS Name: 1,2-difluoro-4-methoxy-3-methylbenzene
OPENEYE Name: 1,2-difluoro-4-methoxy-3-methyl-benzene
IUPAC Name: 1,2-difluoro-4-methoxy-3-methylbenzene
SYSTEMATIC NAME: 1,2-bis(fluoranyl)-4-methoxy-3-methyl-benzene
MOLECULAR FORMULA: C8H8F2O
MOLECULAR WEIGHT: 158.145326
SMILES: CC1=C(C=CC(=C1F)F)OC
Structure:
CAS RN: 954220-47-4
CAS Name: 4-(4-piperidinyl)pyrimidine
OPENEYE Name: 4-(4-piperidyl)pyrimidine
IUPAC Name: 4-piperidin-4-ylpyrimidine
SYSTEMATIC NAME: 4-piperidin-4-ylpyrimidine
MOLECULAR FORMULA: C9H13N3
MOLECULAR WEIGHT: 163.21962
SMILES: C1CNCCC1C2=NC=NC=C2
Structure:
CAS RN: 347418-42-2
CAS Name: 4-chloro-5-fluoropyrimidine
OPENEYE Name: 4-chloro-5-fluoro-pyrimidine
IUPAC Name: 4-chloro-5-fluoropyrimidine
SYSTEMATIC NAME: 4-chloranyl-5-fluoranyl-pyrimidine
MOLECULAR FORMULA: C4H2ClFN2
MOLECULAR WEIGHT: 132.523483
SMILES: C1=C(C(=NC=N1)Cl)F
Structure:
CAS RN: 632-95-1
CAS Name: pyridine-2,3,4-tricarboxylic acid
OPENEYE Name: pyridine-2,3,4-tricarboxylic acid
IUPAC Name: pyridine-2,3,4-tricarboxylic acid
SYSTEMATIC NAME: pyridine-2,3,4-tricarboxylic acid
MOLECULAR FORMULA: C8H5NO6
MOLECULAR WEIGHT: 211.1284
SMILES: C1=CN=C(C(=C1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 85136-78-3
CAS Name: 1-[[4-amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-propanol
OPENEYE Name: 1-[[4-amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
IUPAC Name: 1-[[4-amino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
SYSTEMATIC NAME: 1-[[4-azanyl-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
MOLECULAR FORMULA: C9H18N6O2
MOLECULAR WEIGHT: 242.27822
SMILES: CC(CNC1=NC(=NC(=N1)N)NCC(C)O)O
Structure:
CAS RN: 6294-83-3
CAS Name: 1,3,5-triazine hydrochloride
OPENEYE Name: 1,3,5-triazine hydrochloride
IUPAC Name: 1,3,5-triazine hydrochloride
SYSTEMATIC NAME: 1,3,5-triazine hydrochloride
MOLECULAR FORMULA: C3H4ClN3
MOLECULAR WEIGHT: 117.53696
SMILES: C1=NC=NC=N1.Cl
Structure:
CAS RN: 125542-70-3
CAS Name: acetic acid; 2-hydroxybenzoic acid
OPENEYE Name: acetic acid; 2-hydroxybenzoic acid
IUPAC Name: acetic acid; 2-hydroxybenzoic acid
SYSTEMATIC NAME: ethanoic acid; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: CC(=O)O.C1=CC=C(C(=C1)C(=O)O)O
Structure:
CAS RN: 135484-83-2
CAS Name: 2-amino-4-bromobenzoic acid methyl ester
OPENEYE Name: methyl 2-amino-4-bromo-benzoate
IUPAC Name: methyl 2-amino-4-bromobenzoate
SYSTEMATIC NAME: methyl 2-azanyl-4-bromanyl-benzoate
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: COC(=O)C1=C(C=C(C=C1)Br)N
Structure:
CAS RN: 145441-17-4
CAS Name: 5-acetyl-3-isoxazolecarboxylic acid
OPENEYE Name: 5-acetylisoxazole-3-carboxylic acid
IUPAC Name: 5-acetyl-1,2-oxazole-3-carboxylic acid
SYSTEMATIC NAME: 5-ethanoyl-1,2-oxazole-3-carboxylic acid
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: CC(=O)C1=CC(=NO1)C(=O)O
Structure:
CAS RN: 29401-90-9
CAS Name: calcium hydroxymethanesulfinate
OPENEYE Name: calcium hydroxymethanesulfinate
IUPAC Name: calcium hydroxymethanesulfinate
SYSTEMATIC NAME: calcium oxidanylmethanesulfinate
MOLECULAR FORMULA: C2H6CaO6S2
MOLECULAR WEIGHT: 230.27344
SMILES: C(O)S(=O)[O-].C(O)S(=O)[O-].[Ca+2]
Structure:
CAS RN: 94086-98-3
CAS Name: cyclohexanamine; octanoic acid
OPENEYE Name: cyclohexanamine; octanoic acid
IUPAC Name: cyclohexanamine; octanoic acid
SYSTEMATIC NAME: cyclohexanamine; octanoic acid
MOLECULAR FORMULA: C14H29NO2
MOLECULAR WEIGHT: 243.38556
SMILES: CCCCCCCC(=O)O.C1CCC(CC1)N
Structure:
CAS RN: 451458-80-3
CAS Name: 2,4-dimethoxy-3-methylpyridine
OPENEYE Name: 2,4-dimethoxy-3-methyl-pyridine
IUPAC Name: 2,4-dimethoxy-3-methylpyridine
SYSTEMATIC NAME: 2,4-dimethoxy-3-methyl-pyridine
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: CC1=C(C=CN=C1OC)OC
Structure:
CAS RN: 286946-24-5
CAS Name: 3,6-dichloro-4-pyridazinecarboxylic acid methyl ester
OPENEYE Name: methyl 3,6-dichloropyridazine-4-carboxylate
IUPAC Name: methyl 3,6-dichloropyridazine-4-carboxylate
SYSTEMATIC NAME: methyl 3,6-bis(chloranyl)pyridazine-4-carboxylate
MOLECULAR FORMULA: C6H4Cl2N2O2
MOLECULAR WEIGHT: 207.01416
SMILES: COC(=O)C1=CC(=NN=C1Cl)Cl
Structure:
CAS RN: 405103-02-8
CAS Name: 6-propan-2-yl-3-pyridinamine
OPENEYE Name: 6-isopropylpyridin-3-amine
IUPAC Name: 6-propan-2-ylpyridin-3-amine
SYSTEMATIC NAME: 6-propan-2-ylpyridin-3-amine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC(C)C1=NC=C(C=C1)N
Structure:
CAS RN: 127590-90-3
CAS Name: 2-(chloromethyl)-5-phenylmethoxypyridine
OPENEYE Name: 5-benzyloxy-2-(chloromethyl)pyridine
IUPAC Name: 2-(chloromethyl)-5-phenylmethoxypyridine
SYSTEMATIC NAME: 2-(chloromethyl)-5-phenylmethoxy-pyridine
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: C1=CC=C(C=C1)COC2=CN=C(C=C2)CCl
Structure:
CAS RN: 100245-65-6
CAS Name: 3-bromo-1-chloro-5-ethyl-5-methylimidazolidine-2,4-dione
OPENEYE Name: 3-bromo-1-chloro-5-ethyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: 3-bromo-1-chloro-5-ethyl-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-bromanyl-1-chloranyl-5-ethyl-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C6H8BrClN2O2
MOLECULAR WEIGHT: 255.49692
SMILES: CCC1(C(=O)N(C(=O)N1Cl)Br)C
Structure:
CAS RN: 5177-43-5
CAS Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride
OPENEYE Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride
IUPAC Name: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride
SYSTEMATIC NAME: 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine dihydrochloride
MOLECULAR FORMULA: C9H14Cl2N2
MOLECULAR WEIGHT: 221.12686
SMILES: C1CNC2=CC=CC=C2CN1.Cl.Cl
Structure:
CAS RN: 124350-34-1
CAS Name: hexanedioic acid; 2-(methylamino)ethanol
OPENEYE Name: adipic acid; 2-(methylamino)ethanol
IUPAC Name: hexanedioic acid; 2-(methylamino)ethanol
SYSTEMATIC NAME: hexanedioic acid; 2-(methylamino)ethanol
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: CNCCO.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 372118-67-7
CAS Name: 2-pyrimidinylmethanamine hydrochloride
OPENEYE Name: pyrimidin-2-ylmethanamine hydrochloride
IUPAC Name: pyrimidin-2-ylmethanamine hydrochloride
SYSTEMATIC NAME: pyrimidin-2-ylmethanamine hydrochloride
MOLECULAR FORMULA: C5H8ClN3
MOLECULAR WEIGHT: 145.59012
SMILES: C1=CN=C(N=C1)CN.Cl
Structure:
CAS RN: 120278-07-1
CAS Name: 4-amino-1-piperidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-aminopiperidine-1-carboxylate
IUPAC Name: benzyl 4-aminopiperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-azanylpiperidine-1-carboxylate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CN(CCC1N)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 19733-55-2
CAS Name: 3-(4-nitrophenyl)piperidine
OPENEYE Name: 3-(4-nitrophenyl)piperidine
IUPAC Name: 3-(4-nitrophenyl)piperidine
SYSTEMATIC NAME: 3-(4-nitrophenyl)piperidine
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1CC(CNC1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 99811-53-7
CAS Name: phenylmethoxyboronic acid
OPENEYE Name: benzyloxyboronic acid
IUPAC Name: phenylmethoxyboronic acid
SYSTEMATIC NAME: phenylmethoxyboronic acid
MOLECULAR FORMULA: C7H9BO3
MOLECULAR WEIGHT: 151.95556
SMILES: B(O)(O)OCC1=CC=CC=C1
Structure:
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