CAS RN: 52881-76-2
CAS Name: 3,4-dihydro-2H-pyridin-1-yl-[2-[3,4-dihydro-2H-pyridin-1-yl(oxo)methyl]phenyl]methanone
OPENEYE Name: [2-(3,4-dihydro-2H-pyridine-1-carbonyl)phenyl]-(3,4-dihydro-2H-pyridin-1-yl)methanone
IUPAC Name: [2-(3,4-dihydro-2H-pyridine-1-carbonyl)phenyl]-(3,4-dihydro-2H-pyridin-1-yl)methanone
SYSTEMATIC NAME: 3,4-dihydro-2H-pyridin-1-yl-[2-(3,4-dihydro-2H-pyridin-1-ylcarbonyl)phenyl]methanone
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: C1CC=CN(C1)C(=O)C2=CC=CC=C2C(=O)N3CCCC=C3
Structure:
CAS RN: 52879-54-6
CAS Name: dispiro[2.0.2^{4}.5^{3}]undecane
OPENEYE Name: dispiro[2.0.2^{4}.5^{3}]undecane
IUPAC Name: dispiro[2.0.2^{4}.5^{3}]undecane
SYSTEMATIC NAME: dispiro[2.0.2^{4}.5^{3}]undecane
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: C1CCC2(CC2)C3(CC1)CC3
Structure:
CAS RN: 52875-49-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6Te2
MOLECULAR WEIGHT: 381.35464
SMILES: C1=CC2=C3C(=C1)[Te][Te]C3=CC=C2
Structure:
CAS RN: 52849-30-6
CAS Name: 2-bis(ethenyl)phosphoryloxypropane
OPENEYE Name: 2-divinylphosphoryloxypropane
IUPAC Name: 2-bis(ethenyl)phosphoryloxypropane
SYSTEMATIC NAME: 2-bis(ethenyl)phosphoryloxypropane
MOLECULAR FORMULA: C7H13O2P
MOLECULAR WEIGHT: 160.150681
SMILES: CC(C)OP(=O)(C=C)C=C
Structure:
CAS RN: 52844-23-2
CAS Name: 3-butynal
OPENEYE Name: but-3-ynal
IUPAC Name: but-3-ynal
SYSTEMATIC NAME: but-3-ynal
MOLECULAR FORMULA: C4H4O
MOLECULAR WEIGHT: 68.07396
SMILES: C#CCC=O
Structure:
CAS RN: 52819-09-7
CAS Name: 2,3,3-trichloro-2H-thiophene 1,1-dioxide
OPENEYE Name: 2,3,3-trichloro-2H-thiophene 1,1-dioxide
IUPAC Name: 2,3,3-trichloro-2H-thiophene 1,1-dioxide
SYSTEMATIC NAME: 2,3,3-tris(chloranyl)-2H-thiophene 1,1-dioxide
MOLECULAR FORMULA: C4H3Cl3O2S
MOLECULAR WEIGHT: 221.48942
SMILES: C1=CS(=O)(=O)C(C1(Cl)Cl)Cl
Structure:
CAS RN: 52805-90-0
CAS Name: 2-[(2,6-dimethylphenyl)thio]-1,3-dimethylbenzene
OPENEYE Name: 2-(2,6-dimethylphenyl)sulfanyl-1,3-dimethyl-benzene
IUPAC Name: 2-(2,6-dimethylphenyl)sulfanyl-1,3-dimethylbenzene
SYSTEMATIC NAME: 2-(2,6-dimethylphenyl)sulfanyl-1,3-dimethyl-benzene
MOLECULAR FORMULA: C16H18S
MOLECULAR WEIGHT: 242.37912
SMILES: CC1=C(C(=CC=C1)C)SC2=C(C=CC=C2C)C
Structure:
CAS RN: 52784-31-3
CAS Name: 3-phenyl-1-cyclobutanone
OPENEYE Name: 3-phenylcyclobutanone
IUPAC Name: 3-phenylcyclobutan-1-one
SYSTEMATIC NAME: 3-phenylcyclobutan-1-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C1C(CC1=O)C2=CC=CC=C2
Structure:
CAS RN: 52771-22-9
CAS Name: 3-(trifluoromethoxy)benzonitrile
OPENEYE Name: 3-(trifluoromethoxy)benzonitrile
IUPAC Name: 3-(trifluoromethoxy)benzonitrile
SYSTEMATIC NAME: 3-(trifluoromethyloxy)benzenecarbonitrile
MOLECULAR FORMULA: C8H4F3NO
MOLECULAR WEIGHT: 187.11867
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)C#N
Structure:
CAS RN: 52766-62-8
CAS Name: 2-[4-[3,4-bis(1,3-dioxo-2-isoindolyl)phenoxy]-2-(1,3-dioxo-2-isoindolyl)phenyl]isoindole-1,3-dione
OPENEYE Name: 2-[4-[3,4-bis(1,3-dioxoisoindolin-2-yl)phenoxy]-2-(1,3-dioxoisoindolin-2-yl)phenyl]isoindoline-1,3-dione
IUPAC Name: 2-[4-[3,4-bis(1,3-dioxoisoindol-2-yl)phenoxy]-2-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-[3,4-bis[1,3-bis(oxidanylidene)isoindol-2-yl]phenoxy]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]isoindole-1,3-dione
MOLECULAR FORMULA: C44H22N4O9
MOLECULAR WEIGHT: 750.66688
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)OC4=CC(=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O)N7C(=O)C8=CC=CC=C8C7=O)N9C(=O)C1=CC=CC=C1C9=O
Structure:
CAS RN: 52761-86-1
CAS Name: 2-bromo-3,3-dimethyl-2-nitrosobutane
OPENEYE Name: 2-bromo-3,3-dimethyl-2-nitroso-butane
IUPAC Name: 2-bromo-3,3-dimethyl-2-nitrosobutane
SYSTEMATIC NAME: 2-bromanyl-3,3-dimethyl-2-nitroso-butane
MOLECULAR FORMULA: C6H12BrNO
MOLECULAR WEIGHT: 194.06958
SMILES: CC(C)(C)C(C)(N=O)Br
Structure:
CAS RN: 52751-15-2
CAS Name: 2,3-difluoropyrazine
OPENEYE Name: 2,3-difluoropyrazine
IUPAC Name: 2,3-difluoropyrazine
SYSTEMATIC NAME: 2,3-bis(fluoranyl)pyrazine
MOLECULAR FORMULA: C4H2F2N2
MOLECULAR WEIGHT: 116.068886
SMILES: C1=CN=C(C(=N1)F)F
Structure:
CAS RN: 52750-56-8
CAS Name: 3-pentynoic acid ethyl ester
OPENEYE Name: ethyl pent-3-ynoate
IUPAC Name: ethyl pent-3-ynoate
SYSTEMATIC NAME: ethyl pent-3-ynoate
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CCOC(=O)CC#CC
Structure:
CAS RN: 52750-12-6
CAS Name: 2,5-diphenylbicyclo[4.1.0]hepta-1,3,5-triene
OPENEYE Name: 2,5-diphenylbicyclo[4.1.0]hepta-1,3,5-triene
IUPAC Name: 2,5-diphenylbicyclo[4.1.0]hepta-1,3,5-triene
SYSTEMATIC NAME: 2,5-diphenylbicyclo[4.1.0]hepta-1,3,5-triene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: C1C2=C(C=CC(=C21)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 52735-49-6
CAS Name: 3-(ethylthio)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-ethylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-ethylsulfanyl-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-ethylsulfanyl-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H16OS
MOLECULAR WEIGHT: 184.29844
SMILES: CCSC1=CC(=O)CC(C1)(C)C
Structure:
CAS RN: 52731-68-7
CAS Name: 6-phenylphosphanthridine
OPENEYE Name: 6-phenylphosphanthridine
IUPAC Name: 6-phenylphosphanthridine
SYSTEMATIC NAME: 6-phenylphosphanthridine
MOLECULAR FORMULA: C19H13P
MOLECULAR WEIGHT: 272.280281
SMILES: C1=CC=C(C=C1)C2=PC3=CC=CC=C3C4=CC=CC=C42
Structure:
CAS RN: 52720-24-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10
MOLECULAR WEIGHT: 178.2292
SMILES: C1=CC=C2C=C3C4C=CC4C3=CC2=C1
Structure:
CAS RN: 52719-55-8
CAS Name: 2-[bis(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
OPENEYE Name: 2-[bis(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethyl-benzene
IUPAC Name: 2-[bis(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-[bis(2,4,6-trimethylphenyl)methyl]-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C28H34
MOLECULAR WEIGHT: 370.56956
SMILES: CC1=CC(=C(C(=C1)C)C(C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3C)C)C)C
Structure:
CAS RN: 52708-23-3
CAS Name: spiro[2.4]hept-6-ene
OPENEYE Name: spiro[2.4]hept-6-ene
IUPAC Name: spiro[2.4]hept-6-ene
SYSTEMATIC NAME: spiro[2.4]hept-6-ene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC2(CC2)C=C1
Structure:
CAS RN: 52708-22-2
CAS Name: 3-ethenyl-1,1-dimethylcyclobutane
OPENEYE Name: 1,1-dimethyl-3-vinyl-cyclobutane
IUPAC Name: 3-ethenyl-1,1-dimethylcyclobutane
SYSTEMATIC NAME: 3-ethenyl-1,1-dimethyl-cyclobutane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC1(CC(C1)C=C)C
Structure:
CAS RN: 52707-46-7
CAS Name: 2-thiophen-2-yl-1H-pyrrole
OPENEYE Name: 2-(2-thienyl)-1H-pyrrole
IUPAC Name: 2-thiophen-2-yl-1H-pyrrole
SYSTEMATIC NAME: 2-thiophen-2-yl-1H-pyrrole
MOLECULAR FORMULA: C8H7NS
MOLECULAR WEIGHT: 149.21288
SMILES: C1=CNC(=C1)C2=CC=CS2
Structure:
CAS RN: 52696-91-0
CAS Name: 3-butyl-1,1-dimethylurea
OPENEYE Name: 3-butyl-1,1-dimethyl-urea
IUPAC Name: 3-butyl-1,1-dimethylurea
SYSTEMATIC NAME: 3-butyl-1,1-dimethyl-urea
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: CCCCNC(=O)N(C)C
Structure:
CAS RN: 52689-36-8
CAS Name: bis(trimethoxyphosphoranylidene)iron; nitroxyl anion
OPENEYE Name: bis(trimethoxy-$l^{5}-phosphanylidene)iron; nitroxyl anion
IUPAC Name: bis(trimethoxy-$l^{5}-phosphanylidene)iron; nitroxyl anion
SYSTEMATIC NAME: bis(trimethoxy-$l^{5}-phosphanylidene)iron; oxoazanide
MOLECULAR FORMULA: C6H18FeN2O8P2-2
MOLECULAR WEIGHT: 364.008242
SMILES: COP(=[Fe]=P(OC)(OC)OC)(OC)OC.[N-]=O.[N-]=O
Structure:
CAS RN: 52688-08-1
CAS Name: 2-cyanoacetic acid octan-2-yl ester
OPENEYE Name: 1-methylheptyl 2-cyanoacetate
IUPAC Name: octan-2-yl 2-cyanoacetate
SYSTEMATIC NAME: octan-2-yl 2-cyanoethanoate
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CCCCCCC(C)OC(=O)CC#N
Structure:
CAS RN: 52688-06-9
CAS Name: 2-cyanoacetic acid 5-methylhexan-2-yl ester
OPENEYE Name: 1,4-dimethylpentyl 2-cyanoacetate
IUPAC Name: 5-methylhexan-2-yl 2-cyanoacetate
SYSTEMATIC NAME: 5-methylhexan-2-yl 2-cyanoethanoate
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC(C)CCC(C)OC(=O)CC#N
Structure:
CAS RN: 52688-05-8
CAS Name: 2-cyanoacetic acid 4-methylpentan-2-yl ester
OPENEYE Name: 1,3-dimethylbutyl 2-cyanoacetate
IUPAC Name: 4-methylpentan-2-yl 2-cyanoacetate
SYSTEMATIC NAME: 4-methylpentan-2-yl 2-cyanoethanoate
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CC(C)CC(C)OC(=O)CC#N
Structure:
CAS RN: 52688-04-7
CAS Name: 2-cyanoacetic acid pentan-2-yl ester
OPENEYE Name: 1-methylbutyl 2-cyanoacetate
IUPAC Name: pentan-2-yl 2-cyanoacetate
SYSTEMATIC NAME: pentan-2-yl 2-cyanoethanoate
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CCCC(C)OC(=O)CC#N
Structure:
CAS RN: 52598-10-4
CAS Name: 1-butyl-1,2,2-trimethylhydrazine
OPENEYE Name: 1-butyl-1,2,2-trimethyl-hydrazine
IUPAC Name: 1-butyl-1,2,2-trimethylhydrazine
SYSTEMATIC NAME: 1-butyl-1,2,2-trimethyl-diazane
MOLECULAR FORMULA: C7H18N2
MOLECULAR WEIGHT: 130.23122
SMILES: CCCCN(C)N(C)C
Structure:
CAS RN: 52548-14-8
CAS Name: 2-iodo-5-methylbenzoic acid
OPENEYE Name: 2-iodo-5-methyl-benzoic acid
IUPAC Name: 2-iodo-5-methylbenzoic acid
SYSTEMATIC NAME: 2-iodanyl-5-methyl-benzoic acid
MOLECULAR FORMULA: C8H7IO2
MOLECULAR WEIGHT: 262.04445
SMILES: CC1=CC(=C(C=C1)I)C(=O)O
Structure:
CAS RN: 52548-11-5
CAS Name: chloro-dimethyl-(phenylthio)silane
OPENEYE Name: chloro-dimethyl-phenylsulfanyl-silane
IUPAC Name: chloro-dimethyl-phenylsulfanylsilane
SYSTEMATIC NAME: chloranyl-dimethyl-phenylsulfanyl-silane
MOLECULAR FORMULA: C8H11ClSSi
MOLECULAR WEIGHT: 202.77644
SMILES: C[Si](C)(SC1=CC=CC=C1)Cl
Structure:
CAS RN: 52547-86-1
CAS Name: 4-ethynyl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-ethynylquinuclidine
IUPAC Name: 4-ethynyl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-ethynyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: C#CC12CCN(CC1)CC2
Structure:
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