CAS RN: 13821-77-7
CAS Name: 2,2,3,3,4,5,6,6-octachloro-1-cyclohexanone
OPENEYE Name: 2,2,3,3,4,5,6,6-octachlorocyclohexanone
IUPAC Name: 2,2,3,3,4,5,6,6-octachlorocyclohexan-1-one
SYSTEMATIC NAME: 2,2,3,3,4,5,6,6-octakis(chloranyl)cyclohexan-1-one
MOLECULAR FORMULA: C6H2Cl8O
MOLECULAR WEIGHT: 373.70348
SMILES: C1(C(C(C(C(=O)C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl
CAS RN: 133832-27-6
CAS Name: 1-[(2,2-dichloro-1,1-difluoroethyl)disulfanyl]-2-nitrobenzene
OPENEYE Name: 1-[(2,2-dichloro-1,1-difluoro-ethyl)disulfanyl]-2-nitro-benzene
IUPAC Name: 1-[(2,2-dichloro-1,1-difluoroethyl)disulfanyl]-2-nitrobenzene
SYSTEMATIC NAME: 1-[[2,2-bis(chloranyl)-1,1-bis(fluoranyl)ethyl]disulfanyl]-2-nitro-benzene
MOLECULAR FORMULA: C8H5Cl2F2NO2S2
MOLECULAR WEIGHT: 320.163606
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SSC(C(Cl)Cl)(F)F
CAS RN: 122751-65-9
CAS Name: 3-hydroxypentacosanoic acid
OPENEYE Name: 3-hydroxypentacosanoic acid
IUPAC Name: 3-hydroxypentacosanoic acid
SYSTEMATIC NAME: 3-oxidanylpentacosanoic acid
MOLECULAR FORMULA: C25H50O3
MOLECULAR WEIGHT: 398.6627
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O
CAS RN: 116212-00-1
CAS Name: 2,3-dinitro-1-phenanthrenol
OPENEYE Name: 2,3-dinitrophenanthren-1-ol
IUPAC Name: 2,3-dinitrophenanthren-1-ol
SYSTEMATIC NAME: 2,3-dinitrophenanthren-1-ol
MOLECULAR FORMULA: C14H8N2O5
MOLECULAR WEIGHT: 284.22372
SMILES: C1=CC=C2C(=C1)C=CC3=C(C(=C(C=C32)[N+](=O)[O-])[N+](=O)[O-])O
CAS RN: 108545-00-2
CAS Name: 4-chloro-2,6-dimethoxyphenol
OPENEYE Name: 4-chloro-2,6-dimethoxy-phenol
IUPAC Name: 4-chloro-2,6-dimethoxyphenol
SYSTEMATIC NAME: 4-chloranyl-2,6-dimethoxy-phenol
MOLECULAR FORMULA: C8H9ClO3
MOLECULAR WEIGHT: 188.60826
SMILES: COC1=CC(=CC(=C1O)OC)Cl
CAS RN: 89782-71-8
CAS Name: sodium (2-chlorophenyl)methanesulfonamide
OPENEYE Name: sodium (2-chlorophenyl)methanesulfonamide
IUPAC Name: sodium (2-chlorophenyl)methanesulfonamide
SYSTEMATIC NAME: sodium (2-chlorophenyl)methanesulfonamide
MOLECULAR FORMULA: C7H8ClNNaO2S+
MOLECULAR WEIGHT: 228.65169
SMILES: C1=CC=C(C(=C1)CS(=O)(=O)N)Cl.[Na+]
CAS RN: 91087-09-1
CAS Name: 5,5,6,6-tetrachlorodecane
OPENEYE Name: 5,5,6,6-tetrachlorodecane
IUPAC Name: 5,5,6,6-tetrachlorodecane
SYSTEMATIC NAME: 5,5,6,6-tetrakis(chloranyl)decane
MOLECULAR FORMULA: C10H18Cl4
MOLECULAR WEIGHT: 280.06192
SMILES: CCCCC(C(CCCC)(Cl)Cl)(Cl)Cl
CAS RN: 83542-85-2
CAS Name: 3-[2-hydroxy-2-(2-hydroxy-3,5-dimethylcyclohexyl)ethyl]piperidine-2,6-dione
OPENEYE Name: 3-[2-hydroxy-2-(2-hydroxy-3,5-dimethyl-cyclohexyl)ethyl]piperidine-2,6-dione
IUPAC Name: 3-[2-hydroxy-2-(2-hydroxy-3,5-dimethylcyclohexyl)ethyl]piperidine-2,6-dione
SYSTEMATIC NAME: 3-[2-(3,5-dimethyl-2-oxidanyl-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione
MOLECULAR FORMULA: C15H25NO4
MOLECULAR WEIGHT: 283.3633
SMILES: CC1CC(C(C(C1)C(CC2CCC(=O)NC2=O)O)O)C
CAS RN: 53404-46-9
CAS Name: dodecyl-dimethyl-[(2,4,5-trimethylphenyl)methyl]ammonium chloride
OPENEYE Name: dodecyl-dimethyl-[(2,4,5-trimethylphenyl)methyl]ammonium chloride
IUPAC Name: dodecyl-dimethyl-[(2,4,5-trimethylphenyl)methyl]azanium chloride
SYSTEMATIC NAME: dodecyl-dimethyl-[(2,4,5-trimethylphenyl)methyl]azanium chloride
MOLECULAR FORMULA: C24H44ClN
MOLECULAR WEIGHT: 382.06586
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=C(C=C(C(=C1)C)C)C.[Cl-]
CAS RN: 8049-96-5
CAS Name: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid 2-[[[1-(4-hydroxy-3-iodophenyl)-3-oxo-2-pyrrolidinyl]-oxomethyl]amino]ethyl ester
OPENEYE Name: 2-[[1-(4-hydroxy-3-iodo-phenyl)-3-oxo-pyrrolidine-2-carbonyl]amino]ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
IUPAC Name: 2-[[1-(4-hydroxy-3-iodophenyl)-3-oxopyrrolidine-2-carbonyl]amino]ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: 2-[[1-(3-iodanyl-4-oxidanyl-phenyl)-3-oxidanylidene-pyrrolidin-2-yl]carbonylamino]ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C28H27F3IN3O5
MOLECULAR WEIGHT: 669.43076
SMILES: CC1=CC(C(=C(N1)C)C(=O)OCCNC(=O)C2C(=O)CCN2C3=CC(=C(C=C3)O)I)C4=CC=CC=C4C(F)(F)F
CAS RN: 51755-60-3
CAS Name: 1,1,1,3-tetrachlorodecane
OPENEYE Name: 1,1,1,3-tetrachlorodecane
IUPAC Name: 1,1,1,3-tetrachlorodecane
SYSTEMATIC NAME: 1,1,1,3-tetrakis(chloranyl)decane
MOLECULAR FORMULA: C10H18Cl4
MOLECULAR WEIGHT: 280.06192
SMILES: CCCCCCCC(CC(Cl)(Cl)Cl)Cl
CAS RN: 14280-31-0
CAS Name: samarium-146
OPENEYE Name: samarium-146
IUPAC Name: samarium-146
SYSTEMATIC NAME: samarium-146
MOLECULAR FORMULA: Sm
MOLECULAR WEIGHT: 145.913037
SMILES: [146Sm]
CAS RN: 5386-68-5
CAS Name: carbonic acid (2,4-dinitro-6-octan-2-ylphenyl) methyl ester
OPENEYE Name: methyl [2-(1-methylheptyl)-4,6-dinitro-phenyl] carbonate
IUPAC Name: (2,4-dinitro-6-octan-2-ylphenyl) methyl carbonate
SYSTEMATIC NAME: (2,4-dinitro-6-octan-2-yl-phenyl) methyl carbonate
MOLECULAR FORMULA: C16H22N2O7
MOLECULAR WEIGHT: 354.35508
SMILES: CCCCCCC(C)C1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
CAS RN: 53466-89-0
CAS Name: 1-[2,3-bis(2-methylpropyl)phenoxy]ethanol
OPENEYE Name: 1-(2,3-diisobutylphenoxy)ethanol
IUPAC Name: 1-[2,3-bis(2-methylpropyl)phenoxy]ethanol
SYSTEMATIC NAME: 1-[2,3-bis(2-methylpropyl)phenoxy]ethanol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CC(C)CC1=C(C(=CC=C1)OC(C)O)CC(C)C
CAS RN: 69484-14-6
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; dimethylarsinate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; dimethylarsinate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; dimethylarsinate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; dimethylarsinate
MOLECULAR FORMULA: C8H21AsNO5-
MOLECULAR WEIGHT: 286.17764
SMILES: C[As](=O)(C)[O-].C(CO)N(CCO)CCO
CAS RN: 15170-14-6
CAS Name: copper dipotassium ethane-1,2-diamine tetraacetate
OPENEYE Name: copper dipotassium ethane-1,2-diamine tetraacetate
IUPAC Name: copper dipotassium ethane-1,2-diamine tetraacetate
SYSTEMATIC NAME: copper dipotassium ethane-1,2-diamine tetraethanoate
MOLECULAR FORMULA: C10H20CuK2N2O8
MOLECULAR WEIGHT: 438.017
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CN)N.[K+].[K+].[Cu+2]
CAS RN: 108121-77-3
CAS Name: 3-methyl-9H-fluorene-1,2-diol
OPENEYE Name: 3-methyl-9H-fluorene-1,2-diol
IUPAC Name: 3-methyl-9H-fluorene-1,2-diol
SYSTEMATIC NAME: 3-methyl-9H-fluorene-1,2-diol
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC1=C(C(=C2CC3=CC=CC=C3C2=C1)O)O
CAS RN: 3305-00-8
CAS Name: acetic acid 2,2-bis(4-chlorophenyl)ethyl ester
OPENEYE Name: 2,2-bis(4-chlorophenyl)ethyl acetate
IUPAC Name: 2,2-bis(4-chlorophenyl)ethyl acetate
SYSTEMATIC NAME: 2,2-bis(4-chlorophenyl)ethyl ethanoate
MOLECULAR FORMULA: C16H14Cl2O2
MOLECULAR WEIGHT: 309.18716
SMILES: CC(=O)OCC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
CAS RN: 14993-62-5
CAS Name: rhenium-180
OPENEYE Name: rhenium-180
IUPAC Name: rhenium-180
SYSTEMATIC NAME: rhenium-180
MOLECULAR FORMULA: Re
MOLECULAR WEIGHT: 179.95079
SMILES: [180Re]
CAS RN: 7614-58-6
CAS Name: 2-ethoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
OPENEYE Name: 2-ethoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
IUPAC Name: 2-ethoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
SYSTEMATIC NAME: 2-ethoxy-3,3,5-trimethyl-1,2$l^{5}-oxaphosphole 2-oxide
MOLECULAR FORMULA: C8H15O3P
MOLECULAR WEIGHT: 190.176661
SMILES: CCOP1(=O)C(C=C(O1)C)(C)C
CAS RN: 106939-90-6
CAS Name: 2-formylbenzenesulfonic acid (4-methylphenyl) ester
OPENEYE Name: p-tolyl 2-formylbenzenesulfonate
IUPAC Name: (4-methylphenyl) 2-formylbenzenesulfonate
SYSTEMATIC NAME: (4-methylphenyl) 2-methanoylbenzenesulfonate
MOLECULAR FORMULA: C14H12O4S
MOLECULAR WEIGHT: 276.30768
SMILES: CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2C=O
CAS RN: 27635-80-9
CAS Name: sodium 2-sulfooxyoctadecanoic acid
OPENEYE Name: sodium 2-sulfooxyoctadecanoic acid
IUPAC Name: sodium 2-sulfooxyoctadecanoic acid
SYSTEMATIC NAME: sodium 2-sulfooxyoctadecanoic acid
MOLECULAR FORMULA: C18H36NaO6S+
MOLECULAR WEIGHT: 403.52961
SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)OS(=O)(=O)O.[Na+]
CAS RN: 23340-32-1
CAS Name: sodium hydroxide tetrahydrate
OPENEYE Name: sodium hydroxide tetrahydrate
IUPAC Name: sodium hydroxide tetrahydrate
SYSTEMATIC NAME: sodium hydroxide tetrahydrate
MOLECULAR FORMULA: H9NaO5
MOLECULAR WEIGHT: 112.05823
SMILES: O.O.O.O.[OH-].[Na+]
CAS RN: 66325-11-9
CAS Name: 1-hexyl-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 1-hexyltetralin
IUPAC Name: 1-hexyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1-hexyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C16H24
MOLECULAR WEIGHT: 216.36176
SMILES: CCCCCCC1CCCC2=CC=CC=C12
CAS RN: 69633-05-2
CAS Name: 1,1,1-trichloro-2-tridecanone
OPENEYE Name: 1,1,1-trichlorotridecan-2-one
IUPAC Name: 1,1,1-trichlorotridecan-2-one
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)tridecan-2-one
MOLECULAR FORMULA: C13H23Cl3O
MOLECULAR WEIGHT: 301.68012
SMILES: CCCCCCCCCCCC(=O)C(Cl)(Cl)Cl
CAS RN: 116211-89-3
CAS Name: 2-methyl-9H-xanthen-1-ol
OPENEYE Name: 2-methyl-9H-xanthen-1-ol
IUPAC Name: 2-methyl-9H-xanthen-1-ol
SYSTEMATIC NAME: 2-methyl-9H-xanthen-1-ol
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC1=C(C2=C(C=C1)OC3=CC=CC=C3C2)O
CAS RN: 84962-84-5
CAS Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-diethylammonium; 2-hydroxybenzoate
OPENEYE Name: [4-[[4-(diethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-diethyl-ammonium; 2-hydroxybenzoate
IUPAC Name: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium; 2-hydroxybenzoate
SYSTEMATIC NAME: [4-[[4-(diethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-diethyl-azanium; 2-oxidanylbenzoate
MOLECULAR FORMULA: C34H38N2O3
MOLECULAR WEIGHT: 522.67712
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)[O-])O
CAS RN: 29932-85-2
CAS Name: dimethyl-octadecyl-(1-phenyltridecyl)ammonium chloride
OPENEYE Name: dimethyl-octadecyl-(1-phenyltridecyl)ammonium chloride
IUPAC Name: dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride
SYSTEMATIC NAME: dimethyl-octadecyl-(1-phenyltridecyl)azanium chloride
MOLECULAR FORMULA: C39H74ClN
MOLECULAR WEIGHT: 592.46456
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCCCCC)C1=CC=CC=C1.[Cl-]
CAS RN: 51384-91-9
CAS Name: 2-[[amino(ethylimino)methyl]thio]oxyethyl-trimethylammonium
OPENEYE Name: 2-(N'-ethylcarbamimidoyl)sulfanyloxyethyl-trimethyl-ammonium
IUPAC Name: 2-(N'-ethylcarbamimidoyl)sulfanyloxyethyl-trimethylazanium
SYSTEMATIC NAME: 2-(N'-ethylcarbamimidoyl)sulfanyloxyethyl-trimethyl-azanium
MOLECULAR FORMULA: C8H20N3OS+
MOLECULAR WEIGHT: 206.3289
SMILES: CCN=C(N)SOCC[N+](C)(C)C
CAS RN: 25385-63-1
CAS Name: pentane-1,4-diol dinitrate
OPENEYE Name: pentane-1,4-diol dinitrate
IUPAC Name: pentane-1,4-diol dinitrate
SYSTEMATIC NAME: pentane-1,4-diol dinitrate
MOLECULAR FORMULA: C5H12N2O8-2
MOLECULAR WEIGHT: 228.15738
SMILES: CC(CCCO)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
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