CAS RN: 65304-59-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24
MOLECULAR WEIGHT: 264.40456
SMILES: CC1=C(C2=C(C(=C1CCC3=CC=C(CC2)C=C3)C)C)C
Structure:
CAS RN: 65303-82-4
CAS Name: 1-fluoro-4-isocyanato-2-nitrobenzene
OPENEYE Name: 1-fluoro-4-isocyanato-2-nitro-benzene
IUPAC Name: 1-fluoro-4-isocyanato-2-nitrobenzene
SYSTEMATIC NAME: 1-fluoranyl-4-isocyanato-2-nitro-benzene
MOLECULAR FORMULA: C7H3FN2O3
MOLECULAR WEIGHT: 182.108723
SMILES: C1=CC(=C(C=C1N=C=O)[N+](=O)[O-])F
Structure:
CAS RN: 65248-67-1
CAS Name: 2-[(2,6-dichlorophenyl)methyl]-1-methyl-4,5-dihydroimidazole
OPENEYE Name: 2-[(2,6-dichlorophenyl)methyl]-1-methyl-4,5-dihydroimidazole
IUPAC Name: 2-[(2,6-dichlorophenyl)methyl]-1-methyl-4,5-dihydroimidazole
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazole
MOLECULAR FORMULA: C11H12Cl2N2
MOLECULAR WEIGHT: 243.13238
SMILES: CN1CCN=C1CC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 53277-15-9
CAS Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
OPENEYE Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
IUPAC Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
SYSTEMATIC NAME: 6-oxidanyl-2-phenyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C10H7NO2S
MOLECULAR WEIGHT: 205.23308
SMILES: C1=CC=C(C=C1)C2=NC(=O)C=C(S2)O
Structure:
CAS RN: 65235-90-7
CAS Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
OPENEYE Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
IUPAC Name: 6-hydroxy-2-phenyl-1,3-thiazin-4-one
SYSTEMATIC NAME: 6-oxidanyl-2-phenyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C10H7NO2S
MOLECULAR WEIGHT: 205.23308
SMILES: C1=CC=C(C=C1)C2=NC(=O)C=C(S2)O
Structure:
CAS RN: 65201-71-0
CAS Name: octanoic acid [2,3,4,5,6-pentakis(1-oxooctoxy)phenyl] ester
OPENEYE Name: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate
IUPAC Name: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate
SYSTEMATIC NAME: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate
MOLECULAR FORMULA: C54H90O12
MOLECULAR WEIGHT: 931.2852
SMILES: CCCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC
Structure:
CAS RN: 65201-70-9
CAS Name: heptanoic acid [2,3,4,5,6-pentakis(1-oxoheptoxy)phenyl] ester
OPENEYE Name: [2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate
IUPAC Name: [2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate
SYSTEMATIC NAME: [2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate
MOLECULAR FORMULA: C48H78O12
MOLECULAR WEIGHT: 847.12572
SMILES: CCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC
Structure:
CAS RN: 65201-69-6
CAS Name: hexanoic acid [2,3,4,5,6-pentakis(1-oxohexoxy)phenyl] ester
OPENEYE Name: [2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate
IUPAC Name: [2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate
SYSTEMATIC NAME: [2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate
MOLECULAR FORMULA: C42H66O12
MOLECULAR WEIGHT: 762.96624
SMILES: CCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC
Structure:
CAS RN: 65194-06-1
CAS Name: N-methyl-1-cyclohepta-2,4,6-trienimine oxide
OPENEYE Name: N-methylcyclohepta-2,4,6-trien-1-imine oxide
IUPAC Name: N-methylcyclohepta-2,4,6-trien-1-imine oxide
SYSTEMATIC NAME: N-methylcyclohepta-2,4,6-trien-1-imine oxide
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: C[N+](=C1C=CC=CC=C1)[O-]
Structure:
CAS RN: 65181-92-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1C2C3C=CC4C3OC1C4C2=O
Structure:
CAS RN: 65181-88-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1=CC2C3C=CC(C1C2O)C3=O
Structure:
CAS RN: 65173-83-3
CAS Name: 1,3-dimethyl-N,N-di(propan-2-yl)-1,3,2-diazaphospholidin-2-amine
OPENEYE Name: N,N-diisopropyl-1,3-dimethyl-1,3,2-diazaphospholidin-2-amine
IUPAC Name: 1,3-dimethyl-N,N-di(propan-2-yl)-1,3,2-diazaphospholidin-2-amine
SYSTEMATIC NAME: 1,3-dimethyl-N,N-di(propan-2-yl)-1,3,2-diazaphospholidin-2-amine
MOLECULAR FORMULA: C10H24N3P
MOLECULAR WEIGHT: 217.291421
SMILES: CC(C)N(C(C)C)P1N(CCN1C)C
Structure:
CAS RN: 65173-82-2
CAS Name: N,N-diethyl-1,3-dimethyl-1,3,2-diazaphospholidin-2-amine
OPENEYE Name: N,N-diethyl-1,3-dimethyl-1,3,2-diazaphospholidin-2-amine
IUPAC Name: N,N-diethyl-1,3-dimethyl-1,3,2-diazaphospholidin-2-amine
SYSTEMATIC NAME: N,N-diethyl-1,3-dimethyl-1,3,2-diazaphospholidin-2-amine
MOLECULAR FORMULA: C8H20N3P
MOLECULAR WEIGHT: 189.238261
SMILES: CCN(CC)P1N(CCN1C)C
Structure:
CAS RN: 65115-73-3
CAS Name: 3-(diethylamino)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-(diethylamino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-(diethylamino)-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CCN(CC)C1=CC(=O)CC(C1)(C)C
Structure:
CAS RN: 65115-71-1
CAS Name: 5,5-dimethyl-3-oxo-1-cyclohexenecarbonitrile
OPENEYE Name: 5,5-dimethyl-3-oxo-cyclohexene-1-carbonitrile
IUPAC Name: 5,5-dimethyl-3-oxocyclohexene-1-carbonitrile
SYSTEMATIC NAME: 5,5-dimethyl-3-oxidanylidene-cyclohexene-1-carbonitrile
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1(CC(=CC(=O)C1)C#N)C
Structure:
CAS RN: 65094-22-6
CAS Name: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
OPENEYE Name: 1-[[bromo(difluoro)methyl]-ethoxy-phosphoryl]oxyethane
IUPAC Name: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
SYSTEMATIC NAME: 1-[[bromanyl-bis(fluoranyl)methyl]-ethoxy-phosphoryl]oxyethane
MOLECULAR FORMULA: C5H10BrF2O3P
MOLECULAR WEIGHT: 267.005667
SMILES: CCOP(=O)(C(F)(F)Br)OCC
Structure:
CAS RN: 65094-18-0
CAS Name: bromo-tris(trifluoromethyl)germane
OPENEYE Name: bromo-tris(trifluoromethyl)germane
IUPAC Name: bromo-tris(trifluoromethyl)germane
SYSTEMATIC NAME: bromanyl-tris(trifluoromethyl)germane
MOLECULAR FORMULA: C3BrF9Ge
MOLECULAR WEIGHT: 359.561729
SMILES: C(F)(F)(F)[Ge](C(F)(F)F)(C(F)(F)F)Br
Structure:
CAS RN: 65064-85-9
CAS Name: 7-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
OPENEYE Name: 7-(2-chloro-1,1,2-trifluoro-ethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-heptane
IUPAC Name: 7-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SYSTEMATIC NAME: 7-[2-chloranyl-1,1,2-tris(fluoranyl)ethoxy]-1,1,2,2,3,3,4,4,5,5,6,6-dodecakis(fluoranyl)heptane
MOLECULAR FORMULA: C9H4ClF15O
MOLECULAR WEIGHT: 448.556508
SMILES: C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(C(F)Cl)(F)F
Structure:
CAS RN: 65064-84-8
CAS Name: 5-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
OPENEYE Name: 5-(2-chloro-1,1,2-trifluoro-ethoxy)-1,1,2,2,3,3,4,4-octafluoro-pentane
IUPAC Name: 5-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2,3,3,4,4-octafluoropentane
SYSTEMATIC NAME: 5-[2-chloranyl-1,1,2-tris(fluoranyl)ethoxy]-1,1,2,2,3,3,4,4-octakis(fluoranyl)pentane
MOLECULAR FORMULA: C7H4ClF11O
MOLECULAR WEIGHT: 348.541495
SMILES: C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OC(C(F)Cl)(F)F
Structure:
CAS RN: 65064-83-7
CAS Name: 3-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2-tetrafluoropropane
OPENEYE Name: 3-(2-chloro-1,1,2-trifluoro-ethoxy)-1,1,2,2-tetrafluoro-propane
IUPAC Name: 3-(2-chloro-1,1,2-trifluoroethoxy)-1,1,2,2-tetrafluoropropane
SYSTEMATIC NAME: 3-[2-chloranyl-1,1,2-tris(fluoranyl)ethoxy]-1,1,2,2-tetrakis(fluoranyl)propane
MOLECULAR FORMULA: C5H4ClF7O
MOLECULAR WEIGHT: 248.526482
SMILES: C(C(C(F)F)(F)F)OC(C(F)Cl)(F)F
Structure:
CAS RN: 65064-81-5
CAS Name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentane
OPENEYE Name: 1,1,2,2,3,3,4,4-octafluoro-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]pentane
IUPAC Name: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentane
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4-octakis(fluoranyl)-5-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yloxy]pentane
MOLECULAR FORMULA: C8H4F14O
MOLECULAR WEIGHT: 382.094405
SMILES: C(C(C(C(C(F)F)(F)F)(F)F)(F)F)OC(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 65064-78-0
CAS Name: 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3-tetrafluoropropoxy)propane
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3-tetrafluoropropoxy)propane
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3-tetrafluoropropoxy)propane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-[2,2,3,3-tetrakis(fluoranyl)propoxy]propane
MOLECULAR FORMULA: C6H4F10O
MOLECULAR WEIGHT: 282.079392
SMILES: C(C(C(F)F)(F)F)OC(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 65039-18-1
CAS Name: 1-dodecoxy-4-nitrobenzene
OPENEYE Name: 1-dodecoxy-4-nitro-benzene
IUPAC Name: 1-dodecoxy-4-nitrobenzene
SYSTEMATIC NAME: 1-dodecoxy-4-nitro-benzene
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CCCCCCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 65027-52-3
CAS Name: 2,2,2-trichloro-N-(1$l^{4},2,4$l^{4}-trithia-3,5-diazacyclopenta-3,4-dien-1-ylidene)acetamide
OPENEYE Name: 2,2,2-trichloro-N-(1$l^{4},2,4$l^{4}-trithia-3,5-diazacyclopenta-3,4-dien-1-ylidene)acetamide
IUPAC Name: 2,2,2-trichloro-N-(1$l^{4},2,4$l^{4}-trithia-3,5-diazacyclopenta-3,4-dien-1-ylidene)acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-(1$l^{4},2,4$l^{4}-trithia-3,5-diazacyclopenta-3,4-dien-1-ylidene)ethanamide
MOLECULAR FORMULA: C2Cl3N3OS3
MOLECULAR WEIGHT: 284.5949
SMILES: C(=O)(C(Cl)(Cl)Cl)N=S1N=S=NS1
Structure:
CAS RN: 64940-50-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C1CC23CCC(=O)C2(C1=O)C(=O)CC3
Structure:
CAS RN: 64885-69-4
CAS Name: 1$l^{4},3,5-trithia-2,4$l^{2},6-triazacyclohexa-1,6-diene
OPENEYE Name: 1$l^{4},3,5-trithia-2,4$l^{2},6-triazacyclohexa-1,6-diene
IUPAC Name: 1$l^{4},3,5-trithia-2,4$l^{2},6-triazacyclohexa-1,6-diene
SYSTEMATIC NAME: 1$l^{4},3,5-trithia-2,4$l^{2},6-triazacyclohexa-1,6-diene
MOLECULAR FORMULA: N3S3
MOLECULAR WEIGHT: 138.2151
SMILES: N1=S=NS[N]S1
Structure:
CAS RN: 64869-37-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6SeTe
MOLECULAR WEIGHT: 332.71464
SMILES: C1=CC2=C3C(=C1)[Se][Te]C3=CC=C2
Structure:
CAS RN: 64869-36-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6STe
MOLECULAR WEIGHT: 285.81964
SMILES: C1=CC2=C3C(=C1)S[Te]C3=CC=C2
Structure:
CAS RN: 64869-35-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6SSe
MOLECULAR WEIGHT: 237.17964
SMILES: C1=CC2=C3C(=C1)S[Se]C3=CC=C2
Structure:
CAS RN: 64808-28-2
CAS Name: 2,3-dimethyl-4-triazolethione
OPENEYE Name: 2,3-dimethyltriazole-4-thione
IUPAC Name: 2,3-dimethyltriazole-4-thione
SYSTEMATIC NAME: 2,3-dimethyl-1,2,3-triazole-4-thione
MOLECULAR FORMULA: C4H7N3S
MOLECULAR WEIGHT: 129.18348
SMILES: CN1C(=S)C=NN1C
Structure:
CAS RN: 64808-27-1
CAS Name: 2,3,5-trimethyl-4-triazolethione
OPENEYE Name: 2,3,5-trimethyltriazole-4-thione
IUPAC Name: 2,3,5-trimethyltriazole-4-thione
SYSTEMATIC NAME: 2,3,5-trimethyl-1,2,3-triazole-4-thione
MOLECULAR FORMULA: C5H9N3S
MOLECULAR WEIGHT: 143.21006
SMILES: CC1=NN(N(C1=S)C)C
Structure:
CAS RN: 64788-24-5
CAS Name: 1,5,5,5-tetrafluoropenta-1,3-diyne
OPENEYE Name: 1,5,5,5-tetrafluoropenta-1,3-diyne
IUPAC Name: 1,5,5,5-tetrafluoropenta-1,3-diyne
SYSTEMATIC NAME: 1,5,5,5-tetrakis(fluoranyl)penta-1,3-diyne
MOLECULAR FORMULA: C5F4
MOLECULAR WEIGHT: 136.047113
SMILES: C(#CC(F)(F)F)C#CF
Structure:
CAS RN: 64788-23-4
CAS Name: 1,4-difluorobuta-1,3-diyne
OPENEYE Name: 1,4-difluorobuta-1,3-diyne
IUPAC Name: 1,4-difluorobuta-1,3-diyne
SYSTEMATIC NAME: 1,4-bis(fluoranyl)buta-1,3-diyne
MOLECULAR FORMULA: C4F2
MOLECULAR WEIGHT: 86.039606
SMILES: C(#CF)C#CF
Structure:
CAS RN: 64776-55-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12OS
MOLECULAR WEIGHT: 204.28808
SMILES: C1C23C=CC=CC2(CS1=O)C=CC=C3
Structure:
CAS RN: 64776-36-9
CAS Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonane
OPENEYE Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonane
IUPAC Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-tert-butyl-9-azabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C12H23N
MOLECULAR WEIGHT: 181.31772
SMILES: CC(C)(C)N1C2CCCC1CCC2
Structure:
CAS RN: 64776-33-6
CAS Name: 9-propan-2-yl-9-azabicyclo[3.3.1]nonane
OPENEYE Name: 9-isopropyl-9-azabicyclo[3.3.1]nonane
IUPAC Name: 9-propan-2-yl-9-azabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-propan-2-yl-9-azabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CC(C)N1C2CCCC1CCC2
Structure:
CAS RN: 64776-29-0
CAS Name: 9-ethyl-9-azabicyclo[3.3.1]nonane
OPENEYE Name: 9-ethyl-9-azabicyclo[3.3.1]nonane
IUPAC Name: 9-ethyl-9-azabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 9-ethyl-9-azabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: CCN1C2CCCC1CCC2
Structure:
CAS RN: 64771-59-1
CAS Name: bis(2-chloroethynyl)mercury
OPENEYE Name: bis(2-chloroethynyl)mercury
IUPAC Name: bis(2-chloroethynyl)mercury
SYSTEMATIC NAME: bis(2-chloranylethynyl)mercury
MOLECULAR FORMULA: C4Cl2Hg
MOLECULAR WEIGHT: 319.5388
SMILES: C(#C[Hg]C#CCl)Cl
Structure:
CAS RN: 64762-45-4
CAS Name: (5-methyl-1-diazepinyl)-phenylmethanone
OPENEYE Name: (5-methyldiazepin-1-yl)-phenyl-methanone
IUPAC Name: (5-methyldiazepin-1-yl)-phenylmethanone
SYSTEMATIC NAME: (5-methyl-1,2-diazepin-1-yl)-phenyl-methanone
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC1=CC=NN(C=C1)C(=O)C2=CC=CC=C2
Structure:
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