CAS RN: 50857-48-2
CAS Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-tetradecylpyrrolidine-2,5-dione
OPENEYE Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-tetradecyl-pyrrolidine-2,5-dione
IUPAC Name: 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-tetradecylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethyl]-3-tetradecyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C26H53N5O2
MOLECULAR WEIGHT: 467.73132
SMILES: CCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCNCCNCCNCCN
Structure:
CAS RN: 58878-37-8
CAS Name: 2-(2-chloroethyl)-1-methylpiperidine
OPENEYE Name: 2-(2-chloroethyl)-1-methyl-piperidine
IUPAC Name: 2-(2-chloroethyl)-1-methylpiperidine
SYSTEMATIC NAME: 2-(2-chloroethyl)-1-methyl-piperidine
MOLECULAR FORMULA: C8H16ClN
MOLECULAR WEIGHT: 161.67234
SMILES: CN1CCCCC1CCCl
Structure:
CAS RN: 50846-01-0
CAS Name: 2-(2-chloroethyl)-1-methylpiperidine
OPENEYE Name: 2-(2-chloroethyl)-1-methyl-piperidine
IUPAC Name: 2-(2-chloroethyl)-1-methylpiperidine
SYSTEMATIC NAME: 2-(2-chloroethyl)-1-methyl-piperidine
MOLECULAR FORMULA: C8H16ClN
MOLECULAR WEIGHT: 161.67234
SMILES: CN1CCCCC1CCCl
Structure:
CAS RN: 50844-57-0
CAS Name: 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene
OPENEYE Name: 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene
IUPAC Name: 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene
SYSTEMATIC NAME: 1-isocyanato-3-[1,1,2,2-tetrakis(fluoranyl)ethoxy]benzene
MOLECULAR FORMULA: C9H5F4NO2
MOLECULAR WEIGHT: 235.135113
SMILES: C1=CC(=CC(=C1)OC(C(F)F)(F)F)N=C=O
Structure:
CAS RN: 50844-30-9
CAS Name: 2,4,5-trichlorothiazole
OPENEYE Name: 2,4,5-trichlorothiazole
IUPAC Name: 2,4,5-trichloro-1,3-thiazole
SYSTEMATIC NAME: 2,4,5-tris(chloranyl)-1,3-thiazole
MOLECULAR FORMULA: C3Cl3NS
MOLECULAR WEIGHT: 188.4628
SMILES: C1(=C(SC(=N1)Cl)Cl)Cl
Structure:
CAS RN: 50841-46-8
CAS Name: 3,5-bis(phenylmethoxy)benzoic acid ethyl ester
OPENEYE Name: ethyl 3,5-dibenzyloxybenzoate
IUPAC Name: ethyl 3,5-bis(phenylmethoxy)benzoate
SYSTEMATIC NAME: ethyl 3,5-bis(phenylmethoxy)benzoate
MOLECULAR FORMULA: C23H22O4
MOLECULAR WEIGHT: 362.41838
SMILES: CCOC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 50817-24-8
CAS Name: 2,4-diamino-3-methyl-4-oxobutanoic acid
OPENEYE Name: 2,4-diamino-3-methyl-4-oxo-butanoic acid
IUPAC Name: 2,4-diamino-3-methyl-4-oxobutanoic acid
SYSTEMATIC NAME: 2,4-bis(azanyl)-3-methyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: CC(C(C(=O)O)N)C(=O)N
Structure:
CAS RN: 50807-17-5
CAS Name: 1-(4-tert-butylphenyl)-2,2-dichloroethanone
OPENEYE Name: 1-(4-tert-butylphenyl)-2,2-dichloro-ethanone
IUPAC Name: 1-(4-tert-butylphenyl)-2,2-dichloroethanone
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-2,2-bis(chloranyl)ethanone
MOLECULAR FORMULA: C12H14Cl2O
MOLECULAR WEIGHT: 245.14496
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C(Cl)Cl
Structure:
CAS RN: 50786-80-6
CAS Name: 1-[3-(trifluoromethylthio)phenyl]piperazine
OPENEYE Name: 1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
IUPAC Name: 1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
SYSTEMATIC NAME: 1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
MOLECULAR FORMULA: C11H13F3N2S
MOLECULAR WEIGHT: 262.29453
SMILES: C1CN(CCN1)C2=CC(=CC=C2)SC(F)(F)F
Structure:
CAS RN: 50781-52-7
CAS Name: 2-(9-phenanthrenyl)acetonitrile
OPENEYE Name: 2-(9-phenanthryl)acetonitrile
IUPAC Name: 2-phenanthren-9-ylacetonitrile
SYSTEMATIC NAME: 2-phenanthren-9-ylethanenitrile
MOLECULAR FORMULA: C16H11N
MOLECULAR WEIGHT: 217.26524
SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)CC#N
Structure:
CAS RN: 50780-99-9
CAS Name: propanedioic acid bis(2-methylpropyl) ester
OPENEYE Name: diisobutyl propanedioate
IUPAC Name: bis(2-methylpropyl) propanedioate
SYSTEMATIC NAME: bis(2-methylpropyl) propanedioate
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CC(C)COC(=O)CC(=O)OCC(C)C
Structure:
CAS RN: 50772-29-7
CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
OPENEYE Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoyl chloride
IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
SYSTEMATIC NAME: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
MOLECULAR FORMULA: C20H31ClO2
MOLECULAR WEIGHT: 338.91194
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)Cl)C(C)(C)CC
Structure:
CAS RN: 50771-78-3
CAS Name: N-[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxopentanamide
OPENEYE Name: N-[5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-chloro-phenyl]-2-chloro-4,4-dimethyl-3-oxo-pentanamide
IUPAC Name: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxopentanamide
SYSTEMATIC NAME: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanamide
MOLECULAR FORMULA: C33H46Cl2N2O4
MOLECULAR WEIGHT: 605.63534
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)Cl)C(C)(C)CC
Structure:
CAS RN: 50733-83-0
CAS Name: 2-benzoyl-1-cyclooctanone
OPENEYE Name: 2-benzoylcyclooctanone
IUPAC Name: 2-benzoylcyclooctan-1-one
SYSTEMATIC NAME: 2-(phenylcarbonyl)cyclooctan-1-one
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: C1CCCC(=O)C(CC1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 50727-78-1
CAS Name: 2-mercaptoacetic acid tridecyl ester
OPENEYE Name: tridecyl 2-sulfanylacetate
IUPAC Name: tridecyl 2-sulfanylacetate
SYSTEMATIC NAME: tridecyl 2-sulfanylethanoate
MOLECULAR FORMULA: C15H30O2S
MOLECULAR WEIGHT: 274.4625
SMILES: CCCCCCCCCCCCCOC(=O)CS
Structure:
CAS RN: 50712-64-6
CAS Name: 2-(4-nitrophenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-nitrophenyl)propanoate
IUPAC Name: ethyl 2-(4-nitrophenyl)propanoate
SYSTEMATIC NAME: ethyl 2-(4-nitrophenyl)propanoate
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CCOC(=O)C(C)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 50712-63-5
CAS Name: 2-(4-nitrophenyl)propanenitrile
OPENEYE Name: 2-(4-nitrophenyl)propanenitrile
IUPAC Name: 2-(4-nitrophenyl)propanenitrile
SYSTEMATIC NAME: 2-(4-nitrophenyl)propanenitrile
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 50698-54-9
CAS Name: 2-propenoic acid tetracosyl ester
OPENEYE Name: tetracosyl prop-2-enoate
IUPAC Name: tetracosyl prop-2-enoate
SYSTEMATIC NAME: tetracosyl prop-2-enoate
MOLECULAR FORMULA: C27H52O2
MOLECULAR WEIGHT: 408.70058
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
Structure:
CAS RN: 50689-17-3
CAS Name: 3-chlorofuran
OPENEYE Name: 3-chlorofuran
IUPAC Name: 3-chlorofuran
SYSTEMATIC NAME: 3-chloranylfuran
MOLECULAR FORMULA: C4H3ClO
MOLECULAR WEIGHT: 102.51902
SMILES: C1=COC=C1Cl
Structure:
CAS RN: 50679-12-4
CAS Name: N,N,N'-trimethyl-N'-[2-(4-methyl-1-piperazinyl)ethyl]ethane-1,2-diamine
OPENEYE Name: N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
IUPAC Name: N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SYSTEMATIC NAME: N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
MOLECULAR FORMULA: C12H28N4
MOLECULAR WEIGHT: 228.37752
SMILES: CN1CCN(CC1)CCN(C)CCN(C)C
Structure:
CAS RN: 50671-19-7
CAS Name: 1-(4-methylphenyl)-1-dodecanone
OPENEYE Name: 1-(p-tolyl)dodecan-1-one
IUPAC Name: 1-(4-methylphenyl)dodecan-1-one
SYSTEMATIC NAME: 1-(4-methylphenyl)dodecan-1-one
MOLECULAR FORMULA: C19H30O
MOLECULAR WEIGHT: 274.4409
SMILES: CCCCCCCCCCCC(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 50663-00-8
CAS Name: disodium 2,5-dichloro-4-[4-[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: disodium 2,5-dichloro-4-[4-[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: disodium 2,5-dichloro-4-[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2,5-bis(chloranyl)-4-[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C19H16Cl2N4Na2O11S3
MOLECULAR WEIGHT: 689.43108
SMILES: CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+]
Structure:
CAS RN: 50649-56-4
CAS Name: 4-octoxybenzoic acid (4-pentylphenyl) ester
OPENEYE Name: (4-pentylphenyl) 4-octoxybenzoate
IUPAC Name: (4-pentylphenyl) 4-octoxybenzoate
SYSTEMATIC NAME: (4-pentylphenyl) 4-octoxybenzoate
MOLECULAR FORMULA: C26H36O3
MOLECULAR WEIGHT: 396.56224
SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC
Structure:
CAS RN: 50638-98-7
CAS Name: undecanoic acid propan-2-yl ester
OPENEYE Name: isopropyl undecanoate
IUPAC Name: propan-2-yl undecanoate
SYSTEMATIC NAME: propan-2-yl undecanoate
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCCCCCCCC(=O)OC(C)C
Structure:
CAS RN: 50638-47-6
CAS Name: 4-bromo-2-chloro-1-methoxybenzene
OPENEYE Name: 4-bromo-2-chloro-1-methoxy-benzene
IUPAC Name: 4-bromo-2-chloro-1-methoxybenzene
SYSTEMATIC NAME: 4-bromanyl-2-chloranyl-1-methoxy-benzene
MOLECULAR FORMULA: C7H6BrClO
MOLECULAR WEIGHT: 221.47894
SMILES: COC1=C(C=C(C=C1)Br)Cl
Structure:
CAS RN: 50637-63-3
CAS Name: 2,8-dibromochrysene
OPENEYE Name: 2,8-dibromochrysene
IUPAC Name: 2,8-dibromochrysene
SYSTEMATIC NAME: 2,8-bis(bromanyl)chrysene
MOLECULAR FORMULA: C18H10Br2
MOLECULAR WEIGHT: 386.08
SMILES: C1=CC2=C(C=CC3=C2C=CC4=C3C=CC(=C4)Br)C=C1Br
Structure:
CAS RN: 50634-76-9
CAS Name: 4-(2-aminoethoxy)phenol
OPENEYE Name: 4-(2-aminoethoxy)phenol
IUPAC Name: 4-(2-aminoethoxy)phenol
SYSTEMATIC NAME: 4-(2-azanylethoxy)phenol
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: C1=CC(=CC=C1O)OCCN
Structure:
CAS RN: 50622-51-0
CAS Name: N'-(4-fluorophenyl)ethane-1,2-diamine
OPENEYE Name: N'-(4-fluorophenyl)ethane-1,2-diamine
IUPAC Name: N'-(4-fluorophenyl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-(4-fluorophenyl)ethane-1,2-diamine
MOLECULAR FORMULA: C8H11FN2
MOLECULAR WEIGHT: 154.184743
SMILES: C1=CC(=CC=C1NCCN)F
Structure:
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