CAS RN: 4308-80-9
CAS Name: 2-methylspiro[2.4]hepta-4,6-diene
OPENEYE Name: 2-methylspiro[2.4]hepta-4,6-diene
IUPAC Name: 2-methylspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 2-methylspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1CC12C=CC=C2
Structure:
CAS RN: 4299-49-4
CAS Name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
OPENEYE Name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
IUPAC Name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
SYSTEMATIC NAME: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraene
MOLECULAR FORMULA: C8H24N4P4
MOLECULAR WEIGHT: 300.198004
SMILES: CP1(=NP(=NP(=NP(=N1)(C)C)(C)C)(C)C)C
Structure:
CAS RN: 4292-00-6
CAS Name: 1-heptylcyclopentene
OPENEYE Name: 1-heptylcyclopentene
IUPAC Name: 1-heptylcyclopentene
SYSTEMATIC NAME: 1-heptylcyclopentene
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CCCCCCCC1=CCCC1
Structure:
CAS RN: 4291-99-0
CAS Name: 1-hexylcyclopentene
OPENEYE Name: 1-hexylcyclopentene
IUPAC Name: 1-hexylcyclopentene
SYSTEMATIC NAME: 1-hexylcyclopentene
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CCCCCCC1=CCCC1
Structure:
CAS RN: 4291-98-9
CAS Name: 1-pentylcyclopentene
OPENEYE Name: 1-pentylcyclopentene
IUPAC Name: 1-pentylcyclopentene
SYSTEMATIC NAME: 1-pentylcyclopentene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CCCCCC1=CCCC1
Structure:
CAS RN: 4291-80-9
CAS Name: 1-methyl-3-propylcyclohexane
OPENEYE Name: 1-methyl-3-propyl-cyclohexane
IUPAC Name: 1-methyl-3-propylcyclohexane
SYSTEMATIC NAME: 1-methyl-3-propyl-cyclohexane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCC1CCCC(C1)C
Structure:
CAS RN: 4286-49-1
CAS Name: 1,4-dinitrobutane
OPENEYE Name: 1,4-dinitrobutane
IUPAC Name: 1,4-dinitrobutane
SYSTEMATIC NAME: 1,4-dinitrobutane
MOLECULAR FORMULA: C4H8N2O4
MOLECULAR WEIGHT: 148.11732
SMILES: C(CC[N+](=O)[O-])C[N+](=O)[O-]
Structure:
CAS RN: 4285-59-0
CAS Name: 2-(1-propan-2-yloxyethoxy)propane
OPENEYE Name: 2-(1-isopropoxyethoxy)propane
IUPAC Name: 2-(1-propan-2-yloxyethoxy)propane
SYSTEMATIC NAME: 2-(1-propan-2-yloxyethoxy)propane
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)OC(C)OC(C)C
Structure:
CAS RN: 4282-05-7
CAS Name: diethyl(dimethyl)stannane
OPENEYE Name: diethyl(dimethyl)stannane
IUPAC Name: diethyl(dimethyl)stannane
SYSTEMATIC NAME: diethyl(dimethyl)stannane
MOLECULAR FORMULA: C6H16Sn
MOLECULAR WEIGHT: 206.90124
SMILES: CC[Sn](C)(C)CC
Structure:
CAS RN: 4281-04-3
CAS Name: 7-methylcyclohepta-1,3,5-triene
OPENEYE Name: 7-methylcyclohepta-1,3,5-triene
IUPAC Name: 7-methylcyclohepta-1,3,5-triene
SYSTEMATIC NAME: 7-methylcyclohepta-1,3,5-triene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1C=CC=CC=C1
Structure:
CAS RN: 4280-30-2
CAS Name: 1-(4-chlorophenyl)pyrrolidine
OPENEYE Name: 1-(4-chlorophenyl)pyrrolidine
IUPAC Name: 1-(4-chlorophenyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-chlorophenyl)pyrrolidine
MOLECULAR FORMULA: C10H12ClN
MOLECULAR WEIGHT: 181.66198
SMILES: C1CCN(C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 4279-76-9
CAS Name: ethynoxybenzene
OPENEYE Name: ethynoxybenzene
IUPAC Name: ethynoxybenzene
SYSTEMATIC NAME: ethynoxybenzene
MOLECULAR FORMULA: C8H6O
MOLECULAR WEIGHT: 118.13264
SMILES: C#COC1=CC=CC=C1
Structure:
CAS RN: 4278-87-9
CAS Name: N-(cyclohexylideneamino)cyclohexanimine
OPENEYE Name: N-(cyclohexylideneamino)cyclohexanimine
IUPAC Name: N-(cyclohexylideneamino)cyclohexanimine
SYSTEMATIC NAME: N-(cyclohexylideneamino)cyclohexanimine
MOLECULAR FORMULA: C12H20N2
MOLECULAR WEIGHT: 192.3006
SMILES: C1CCC(=NN=C2CCCCC2)CC1
Structure:
CAS RN: 4276-45-3
CAS Name: 3-propan-2-ylcyclopentene
OPENEYE Name: 3-isopropylcyclopentene
IUPAC Name: 3-propan-2-ylcyclopentene
SYSTEMATIC NAME: 3-propan-2-ylcyclopentene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC(C)C1CCC=C1
Structure:
CAS RN: 4267-00-9
CAS Name: 1,1,2,2-tetraethylhydrazine
OPENEYE Name: 1,1,2,2-tetraethylhydrazine
IUPAC Name: 1,1,2,2-tetraethylhydrazine
SYSTEMATIC NAME: 1,1,2,2-tetraethyldiazane
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CCN(CC)N(CC)CC
Structure:
CAS RN: 4265-55-8
CAS Name: 3-[[1-(2-carboxyethylthio)cyclohexyl]thio]propanoic acid
OPENEYE Name: 3-[1-(2-carboxyethylsulfanyl)cyclohexyl]sulfanylpropanoic acid
IUPAC Name: 3-[1-(2-carboxyethylsulfanyl)cyclohexyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[1-(3-hydroxy-3-oxopropylsulfanyl)cyclohexyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C12H20O4S2
MOLECULAR WEIGHT: 292.4148
SMILES: C1CCC(CC1)(SCCC(=O)O)SCCC(=O)O
Structure:
CAS RN: 4255-62-3
CAS Name: 4,4-dimethyl-1-cyclohexanone
OPENEYE Name: 4,4-dimethylcyclohexanone
IUPAC Name: 4,4-dimethylcyclohexan-1-one
SYSTEMATIC NAME: 4,4-dimethylcyclohexan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1(CCC(=O)CC1)C
Structure:
CAS RN: 4250-82-2
CAS Name: 3,3-dimethylbut-1-ynylbenzene
OPENEYE Name: 3,3-dimethylbut-1-ynylbenzene
IUPAC Name: 3,3-dimethylbut-1-ynylbenzene
SYSTEMATIC NAME: 3,3-dimethylbut-1-ynylbenzene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: CC(C)(C)C#CC1=CC=CC=C1
Structure:
CAS RN: 4249-11-0
CAS Name: 1,4,5,5-tetramethylcyclopenta-1,3-diene
OPENEYE Name: 1,4,5,5-tetramethylcyclopenta-1,3-diene
IUPAC Name: 1,4,5,5-tetramethylcyclopenta-1,3-diene
SYSTEMATIC NAME: 1,4,5,5-tetramethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: CC1=CC=C(C1(C)C)C
Structure:
CAS RN: 4249-10-9
CAS Name: 1,2,3,4-tetramethylcyclopenta-1,3-diene
OPENEYE Name: 1,2,3,4-tetramethylcyclopenta-1,3-diene
IUPAC Name: 1,2,3,4-tetramethylcyclopenta-1,3-diene
SYSTEMATIC NAME: 1,2,3,4-tetramethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: CC1=C(C(=C(C1)C)C)C
Structure:
CAS RN: 4249-09-6
CAS Name: 1,5,5-trimethylcyclopenta-1,3-diene
OPENEYE Name: 1,5,5-trimethylcyclopenta-1,3-diene
IUPAC Name: 1,5,5-trimethylcyclopenta-1,3-diene
SYSTEMATIC NAME: 1,5,5-trimethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC1=CC=CC1(C)C
Structure:
CAS RN: 4237-73-4
CAS Name: 4-(3-hydroxy-3-methylbutyl)phenol
OPENEYE Name: 4-(3-hydroxy-3-methyl-butyl)phenol
IUPAC Name: 4-(3-hydroxy-3-methylbutyl)phenol
SYSTEMATIC NAME: 4-(3-methyl-3-oxidanyl-butyl)phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)(CCC1=CC=C(C=C1)O)O
Structure:
CAS RN: 4237-48-3
CAS Name: diphenylmethanethiol
OPENEYE Name: diphenylmethanethiol
IUPAC Name: diphenylmethanethiol
SYSTEMATIC NAME: diphenylmethanethiol
MOLECULAR FORMULA: C13H12S
MOLECULAR WEIGHT: 200.29938
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)S
Structure:
CAS RN: 4233-18-5
CAS Name: cyclohexylidenecyclohexane
OPENEYE Name: cyclohexylidenecyclohexane
IUPAC Name: cyclohexylidenecyclohexane
SYSTEMATIC NAME: cyclohexylidenecyclohexane
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: C1CCC(=C2CCCCC2)CC1
Structure:
CAS RN: 4225-42-7
CAS Name: 2-methoxy-6-methyl-4-pyranone
OPENEYE Name: 2-methoxy-6-methyl-pyran-4-one
IUPAC Name: 2-methoxy-6-methylpyran-4-one
SYSTEMATIC NAME: 2-methoxy-6-methyl-pyran-4-one
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: CC1=CC(=O)C=C(O1)OC
Structure:
CAS RN: 4222-23-5
CAS Name: 3-bromo-3-methyldiazirine
OPENEYE Name: 3-bromo-3-methyl-diazirine
IUPAC Name: 3-bromo-3-methyldiazirine
SYSTEMATIC NAME: 3-bromanyl-3-methyl-1,2-diazirine
MOLECULAR FORMULA: C2H3BrN2
MOLECULAR WEIGHT: 134.96262
SMILES: CC1(N=N1)Br
Structure:
CAS RN: 4222-21-3
CAS Name: 3-chloro-3-methyldiazirine
OPENEYE Name: 3-chloro-3-methyl-diazirine
IUPAC Name: 3-chloro-3-methyldiazirine
SYSTEMATIC NAME: 3-chloranyl-3-methyl-1,2-diazirine
MOLECULAR FORMULA: C2H3ClN2
MOLECULAR WEIGHT: 90.51162
SMILES: CC1(N=N1)Cl
Structure:
CAS RN: 4210-60-0
CAS Name: 2-tert-butylpropanedinitrile
OPENEYE Name: 2-tert-butylpropanedinitrile
IUPAC Name: 2-tert-butylpropanedinitrile
SYSTEMATIC NAME: 2-tert-butylpropanedinitrile
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(C)(C)C(C#N)C#N
Structure:
CAS RN: 4203-31-0
CAS Name: 2-diazonio-1-(4-nitrophenyl)ethenolate
OPENEYE Name: 2-diazonio-1-(4-nitrophenyl)ethenolate
IUPAC Name: 2-diazonio-1-(4-nitrophenyl)ethenolate
SYSTEMATIC NAME: 2-diazonio-1-(4-nitrophenyl)ethenolate
MOLECULAR FORMULA: C8H5N3O3
MOLECULAR WEIGHT: 191.1436
SMILES: C1=CC(=CC=C1C(=C[N+]#N)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4199-03-5
CAS Name: (4-methoxyphenyl)-dimethyl-trimethylsilylsilane
OPENEYE Name: (4-methoxyphenyl)-dimethyl-trimethylsilyl-silane
IUPAC Name: (4-methoxyphenyl)-dimethyl-trimethylsilylsilane
SYSTEMATIC NAME: (4-methoxyphenyl)-dimethyl-trimethylsilyl-silane
MOLECULAR FORMULA: C12H22OSi2
MOLECULAR WEIGHT: 238.47348
SMILES: COC1=CC=C(C=C1)[Si](C)(C)[Si](C)(C)C
Structure:
CAS RN: 4190-06-1
CAS Name: 1,5-dimethylcyclohexa-1,4-diene
OPENEYE Name: 1,5-dimethylcyclohexa-1,4-diene
IUPAC Name: 1,5-dimethylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1,5-dimethylcyclohexa-1,4-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC1=CCC=C(C1)C
Structure:
CAS RN: 4186-30-5
CAS Name: N-ethyl-2-phenyl-1-cyclopropanecarboxamide
OPENEYE Name: N-ethyl-2-phenyl-cyclopropanecarboxamide
IUPAC Name: N-ethyl-2-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N-ethyl-2-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C12H15NO
MOLECULAR WEIGHT: 189.2536
SMILES: CCNC(=O)C1CC1C2=CC=CC=C2
Structure:
CAS RN: 26581-25-9
CAS Name: 8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
OPENEYE Name: 4a-hydroperoxydecalin
IUPAC Name: 8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SYSTEMATIC NAME: 8a-(dioxidanyl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C1CCC2(CCCCC2C1)OO
Structure:
CAS RN: 4181-83-3
CAS Name: 8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
OPENEYE Name: 4a-hydroperoxydecalin
IUPAC Name: 8a-hydroperoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SYSTEMATIC NAME: 8a-(dioxidanyl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C1CCC2(CCCCC2C1)OO
Structure:
CAS RN: 4175-54-6
CAS Name: 1,4-dimethyl-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 1,4-dimethyltetralin
IUPAC Name: 1,4-dimethyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1,4-dimethyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CC1CCC(C2=CC=CC=C12)C
Structure:
CAS RN: 4172-91-2
CAS Name: N-methyl-N'-phenylmethanediimine
OPENEYE Name: N-methyl-N'-phenyl-methanediimine
IUPAC Name: N-methyl-N'-phenylmethanediimine
SYSTEMATIC NAME: N-methyl-N'-phenyl-methanediimine
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CN=C=NC1=CC=CC=C1
Structure:
CAS RN: 4170-80-3
CAS Name: ethylsulfinylbenzene
OPENEYE Name: ethylsulfinylbenzene
IUPAC Name: ethylsulfinylbenzene
SYSTEMATIC NAME: ethylsulfinylbenzene
MOLECULAR FORMULA: C8H10OS
MOLECULAR WEIGHT: 154.2294
SMILES: CCS(=O)C1=CC=CC=C1
Structure:
CAS RN: 4170-72-3
CAS Name: tert-butylsulfonylbenzene
OPENEYE Name: tert-butylsulfonylbenzene
IUPAC Name: tert-butylsulfonylbenzene
SYSTEMATIC NAME: tert-butylsulfonylbenzene
MOLECULAR FORMULA: C10H14O2S
MOLECULAR WEIGHT: 198.28196
SMILES: CC(C)(C)S(=O)(=O)C1=CC=CC=C1
Structure:
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