CAS RN: 67355-35-5
CAS Name: calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzoate
OPENEYE Name: calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzoate
IUPAC Name: calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate
SYSTEMATIC NAME: calcium 2-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate
MOLECULAR FORMULA: C17H12CaN4O6S
MOLECULAR WEIGHT: 440.44338
SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Ca+2]
Structure:
CAS RN: 67342-99-8
CAS Name: 3-oxododecanoic acid ethyl ester
OPENEYE Name: ethyl 3-oxododecanoate
IUPAC Name: ethyl 3-oxododecanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidenedodecanoate
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: CCCCCCCCCC(=O)CC(=O)OCC
Structure:
CAS RN: 67338-66-3
CAS Name: 4-(dimethylamino)butanoic acid propyl ester
OPENEYE Name: propyl 4-(dimethylamino)butanoate
IUPAC Name: propyl 4-(dimethylamino)butanoate
SYSTEMATIC NAME: propyl 4-(dimethylamino)butanoate
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CCCOC(=O)CCCN(C)C
Structure:
CAS RN: 67304-14-7
CAS Name: 2-ethenyl-2-methyl-5-propan-2-ylideneoxolane
OPENEYE Name: 5-isopropylidene-2-methyl-2-vinyl-tetrahydrofuran
IUPAC Name: 2-ethenyl-2-methyl-5-propan-2-ylideneoxolane
SYSTEMATIC NAME: 2-ethenyl-2-methyl-5-propan-2-ylidene-oxolane
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(=C1CCC(O1)(C)C=C)C
Structure:
CAS RN: 67287-36-9
CAS Name: 2-(2-chloro-3,4-dimethoxyphenyl)ethanamine
OPENEYE Name: 2-(2-chloro-3,4-dimethoxy-phenyl)ethanamine
IUPAC Name: 2-(2-chloro-3,4-dimethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(2-chloranyl-3,4-dimethoxy-phenyl)ethanamine
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: COC1=C(C(=C(C=C1)CCN)Cl)OC
Structure:
CAS RN: 67271-66-3
CAS Name: 2-chloro-3-oxobutanamide
OPENEYE Name: 2-chloro-3-oxo-butanamide
IUPAC Name: 2-chloro-3-oxobutanamide
SYSTEMATIC NAME: 2-chloranyl-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C4H6ClNO2
MOLECULAR WEIGHT: 135.54894
SMILES: CC(=O)C(C(=O)N)Cl
Structure:
CAS RN: 67240-89-5
CAS Name: N-[bis(4-fluorophenyl)methyl]-2-chloroethanamine hydrochloride
OPENEYE Name: N-[bis(4-fluorophenyl)methyl]-2-chloro-ethanamine hydrochloride
IUPAC Name: N-[bis(4-fluorophenyl)methyl]-2-chloroethanamine hydrochloride
SYSTEMATIC NAME: N-[bis(4-fluorophenyl)methyl]-2-chloranyl-ethanamine hydrochloride
MOLECULAR FORMULA: C15H15Cl2F2N
MOLECULAR WEIGHT: 318.189106
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)F)NCCCl)F.Cl
Structure:
CAS RN: 67233-85-6
CAS Name: sodium 2-methoxy-5-nitrophenolate
OPENEYE Name: sodium 2-methoxy-5-nitro-phenolate
IUPAC Name: sodium 2-methoxy-5-nitrophenolate
SYSTEMATIC NAME: sodium 2-methoxy-5-nitro-phenolate
MOLECULAR FORMULA: C7H6NNaO4
MOLECULAR WEIGHT: 191.11661
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]
Structure:
CAS RN: 67209-77-2
CAS Name: 2-methyl-1-cyclopentenecarboxylic acid
OPENEYE Name: 2-methylcyclopentene-1-carboxylic acid
IUPAC Name: 2-methylcyclopentene-1-carboxylic acid
SYSTEMATIC NAME: 2-methylcyclopentene-1-carboxylic acid
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CC1=C(CCC1)C(=O)O
Structure:
CAS RN: 67191-67-7
CAS Name: N-(4-nitrophenyl)-1-(triphenylstannylthio)methanimidic acid ethyl ester
OPENEYE Name: ethyl N-(4-nitrophenyl)-1-triphenylstannylsulfanyl-methanimidate
IUPAC Name: ethyl N-(4-nitrophenyl)-1-triphenylstannylsulfanylmethanimidate
SYSTEMATIC NAME: ethyl N-(4-nitrophenyl)-1-triphenylstannylsulfanyl-methanimidate
MOLECULAR FORMULA: C27H24N2O3SSn
MOLECULAR WEIGHT: 575.26606
SMILES: CCOC(=NC1=CC=C(C=C1)[N+](=O)[O-])S[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 67184-55-8
CAS Name: 3-(3-mercapto-1-oxopropoxy)-2-[(3-mercapto-1-oxopropoxy)methyl]-2-methylpropanoic acid
OPENEYE Name: 2-methyl-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propanoic acid
IUPAC Name: 2-methyl-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propanoic acid
SYSTEMATIC NAME: 2-methyl-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propanoic acid
MOLECULAR FORMULA: C11H18O6S2
MOLECULAR WEIGHT: 310.38702
SMILES: CC(COC(=O)CCS)(COC(=O)CCS)C(=O)O
Structure:
CAS RN: 67178-60-3
CAS Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanamide
OPENEYE Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(1,1-dimethylpropyl)phenoxy]tetradecanamide
IUPAC Name: N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanamide
SYSTEMATIC NAME: N-[4-chloranyl-3-[[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]amino]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanamide
MOLECULAR FORMULA: C40H50Cl4N4O3
MOLECULAR WEIGHT: 776.662
SMILES: CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)Cl)Cl)OC4=CC=C(C=C4)C(C)(C)CC
Structure:
CAS RN: 67177-07-5
CAS Name: N-(3-hydroxypropyl)octadecanamide
OPENEYE Name: N-(3-hydroxypropyl)octadecanamide
IUPAC Name: N-(3-hydroxypropyl)octadecanamide
SYSTEMATIC NAME: N-(3-oxidanylpropyl)octadecanamide
MOLECULAR FORMULA: C21H43NO2
MOLECULAR WEIGHT: 341.57162
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCO
Structure:
CAS RN: 67146-22-9
CAS Name: (5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
OPENEYE Name: (5-thioxo-2H-tetrazol-1-yl)methanesulfonic acid
IUPAC Name: (5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
SYSTEMATIC NAME: (5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)methanesulfonic acid
MOLECULAR FORMULA: C2H4N4O3S2
MOLECULAR WEIGHT: 196.20816
SMILES: C(N1C(=S)N=NN1)S(=O)(=O)O
Structure:
CAS RN: 67107-93-1
CAS Name: 3,3-dichloro-5-octyl-2-oxolanone
OPENEYE Name: 3,3-dichloro-5-octyl-tetrahydrofuran-2-one
IUPAC Name: 3,3-dichloro-5-octyloxolan-2-one
SYSTEMATIC NAME: 3,3-bis(chloranyl)-5-octyl-oxolan-2-one
MOLECULAR FORMULA: C12H20Cl2O2
MOLECULAR WEIGHT: 267.192
SMILES: CCCCCCCCC1CC(C(=O)O1)(Cl)Cl
Structure:
CAS RN: 67098-97-9
CAS Name: 1-(chloromethyl)-4-fluoro-2-isocyanatobenzene
OPENEYE Name: 1-(chloromethyl)-4-fluoro-2-isocyanato-benzene
IUPAC Name: 1-(chloromethyl)-4-fluoro-2-isocyanatobenzene
SYSTEMATIC NAME: 1-(chloromethyl)-4-fluoranyl-2-isocyanato-benzene
MOLECULAR FORMULA: C8H5ClFNO
MOLECULAR WEIGHT: 185.582803
SMILES: C1=CC(=C(C=C1F)N=C=O)CCl
Structure:
CAS RN: 67083-70-9
CAS Name: 2-(2,3-dimethylanilino)acetonitrile
OPENEYE Name: 2-(2,3-dimethylanilino)acetonitrile
IUPAC Name: 2-(2,3-dimethylanilino)acetonitrile
SYSTEMATIC NAME: 2-[(2,3-dimethylphenyl)amino]ethanenitrile
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CC1=C(C(=CC=C1)NCC#N)C
Structure:
CAS RN: 67078-97-1
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-propan-2-yl ester O3-(2-propoxyethyl) ester
OPENEYE Name: O5-isopropyl O3-(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-propan-2-yl 3-O-(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-propan-2-yl O3-(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C23H30N2O7
MOLECULAR WEIGHT: 446.4935
SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)C)C
Structure:
CAS RN: 67057-32-3
CAS Name: N,N-dimethylcarbamodithioic acid tributylstannyl ester
OPENEYE Name: tributylstannyl N,N-dimethylcarbamodithioate
IUPAC Name: tributylstannyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: tributylstannyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C15H33NS2Sn
MOLECULAR WEIGHT: 410.26922
SMILES: CCCC[Sn](CCCC)(CCCC)SC(=S)N(C)C
Structure:
CAS RN: 67027-06-9
CAS Name: 1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylthiourea
OPENEYE Name: 1-(4-pyridyl)-3-(1,2,2-trimethylpropyl)thiourea
IUPAC Name: 1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylthiourea
SYSTEMATIC NAME: 1-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-thiourea
MOLECULAR FORMULA: C12H19N3S
MOLECULAR WEIGHT: 237.36436
SMILES: CC(C(C)(C)C)NC(=S)NC1=CC=NC=C1
Structure:
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