CAS RN: 131323-86-9
CAS Name: trichloromethylphosphine
OPENEYE Name: trichloromethylphosphane
IUPAC Name: trichloromethylphosphane
SYSTEMATIC NAME: trichloromethylphosphane
MOLECULAR FORMULA: CH2Cl3P
MOLECULAR WEIGHT: 151.359341
SMILES: C(P)(Cl)(Cl)Cl
Structure:
CAS RN: 131213-98-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C1CC2C3C4CCC(C3C1C2=O)C4=O
Structure:
CAS RN: 131179-08-3
CAS Name: 7-azabicyclo[2.2.1]heptane-7-carboxylic acid methyl ester
OPENEYE Name: methyl 7-azabicyclo[2.2.1]heptane-7-carboxylate
IUPAC Name: methyl 7-azabicyclo[2.2.1]heptane-7-carboxylate
SYSTEMATIC NAME: methyl 7-azabicyclo[2.2.1]heptane-7-carboxylate
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: COC(=O)N1C2CCC1CC2
Structure:
CAS RN: 130871-93-1
CAS Name: 3-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
OPENEYE Name: 3-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
IUPAC Name: 3-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 3-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C8H9F3
MOLECULAR WEIGHT: 162.15227
SMILES: C1CC2CC1C=C2C(F)(F)F
Structure:
CAS RN: 130720-67-1
CAS Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclohexane]
OPENEYE Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclohexane]
IUPAC Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclohexane]
SYSTEMATIC NAME: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclohexane]
MOLECULAR FORMULA: C11H12F9N3
MOLECULAR WEIGHT: 357.218709
SMILES: C1CCC2(CC1)CC(N3N2N3C(F)(F)F)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 130720-66-0
CAS Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclopentane]
OPENEYE Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclopentane]
IUPAC Name: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclopentane]
SYSTEMATIC NAME: 4,4,6-tris(trifluoromethyl)spiro[1,5,6-triazabicyclo[3.1.0]hexane-2,1'-cyclopentane]
MOLECULAR FORMULA: C10H10F9N3
MOLECULAR WEIGHT: 343.192129
SMILES: C1CCC2(C1)CC(N3N2N3C(F)(F)F)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 129872-30-6
CAS Name: tetraspiro[2.0.0.0.2^{6}.1^{5}.1^{4}.1^{3}]undecane
OPENEYE Name: tetraspiro[2.0.0.0.2^{6}.1^{5}.1^{4}.1^{3}]undecane
IUPAC Name: tetraspiro[2.0.0.0.2^{6}.1^{5}.1^{4}.1^{3}]undecane
SYSTEMATIC NAME: tetraspiro[2.0.0.0.2^{6}.1^{5}.1^{4}.1^{3}]undecane
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: C1CC12CC23CC34CC45CC5
Structure:
CAS RN: 129714-97-2
CAS Name: 3,5-difluorobenzoyl chloride
OPENEYE Name: 3,5-difluorobenzoyl chloride
IUPAC Name: 3,5-difluorobenzoyl chloride
SYSTEMATIC NAME: 3,5-bis(fluoranyl)benzoyl chloride
MOLECULAR FORMULA: C7H3ClF2O
MOLECULAR WEIGHT: 176.547926
SMILES: C1=C(C=C(C=C1F)F)C(=O)Cl
Structure:
CAS RN: 129682-74-2
CAS Name: N,N-bis(diphenoxyphosphino)aniline
OPENEYE Name: N,N-bis(diphenoxyphosphanyl)aniline
IUPAC Name: N,N-bis(diphenoxyphosphanyl)aniline
SYSTEMATIC NAME: N,N-bis(diphenoxyphosphanyl)aniline
MOLECULAR FORMULA: C30H25NO4P2
MOLECULAR WEIGHT: 525.471322
SMILES: C1=CC=C(C=C1)N(P(OC2=CC=CC=C2)OC3=CC=CC=C3)P(OC4=CC=CC=C4)OC5=CC=CC=C5
Structure:
CAS RN: 129575-55-9
CAS Name: 2,2,4,4-tetramethoxy-1,3,2,4-dioxadisiletane
OPENEYE Name: 2,2,4,4-tetramethoxy-1,3,2,4-dioxadisiletane
IUPAC Name: 2,2,4,4-tetramethoxy-1,3,2,4-dioxadisiletane
SYSTEMATIC NAME: 2,2,4,4-tetramethoxy-1,3,2,4-dioxadisiletane
MOLECULAR FORMULA: C4H12O6Si2
MOLECULAR WEIGHT: 212.30548
SMILES: CO[Si]1(O[Si](O1)(OC)OC)OC
Structure:
CAS RN: 128484-66-2
CAS Name: [4-(phenylmethyl)cyclohexyl]methylbenzene
OPENEYE Name: (4-benzylcyclohexyl)methylbenzene
IUPAC Name: (4-benzylcyclohexyl)methylbenzene
SYSTEMATIC NAME: [4-(phenylmethyl)cyclohexyl]methylbenzene
MOLECULAR FORMULA: C20H24
MOLECULAR WEIGHT: 264.40456
SMILES: C1CC(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 128478-71-7
CAS Name: 2-nitro-2-adamantanecarbonitrile
OPENEYE Name: 2-nitroadamantane-2-carbonitrile
IUPAC Name: 2-nitroadamantane-2-carbonitrile
SYSTEMATIC NAME: 2-nitroadamantane-2-carbonitrile
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1C2CC3CC1CC(C2)C3(C#N)[N+](=O)[O-]
Structure:
CAS RN: 127793-18-4
CAS Name: 1,6-diselenacyclodeca-3,8-diyne
OPENEYE Name: 1,6-diselenacyclodeca-3,8-diyne
IUPAC Name: 1,6-diselenacyclodeca-3,8-diyne
SYSTEMATIC NAME: 1,6-diselenacyclodeca-3,8-diyne
MOLECULAR FORMULA: C8H8Se2
MOLECULAR WEIGHT: 262.06912
SMILES: C1C#CC[Se]CC#CC[Se]1
Structure:
CAS RN: 127793-17-3
CAS Name: 1-thia-6-selenacyclodeca-3,8-diyne
OPENEYE Name: 1-thia-6-selenacyclodeca-3,8-diyne
IUPAC Name: 1-thia-6-selenacyclodeca-3,8-diyne
SYSTEMATIC NAME: 1-thia-6-selenacyclodeca-3,8-diyne
MOLECULAR FORMULA: C8H8SSe
MOLECULAR WEIGHT: 215.17412
SMILES: C1C#CC[Se]CC#CCS1
Structure:
CAS RN: 127793-16-2
CAS Name: 1-oxa-6-thiacyclodeca-3,8-diyne
OPENEYE Name: 1-oxa-6-thiacyclodeca-3,8-diyne
IUPAC Name: 1-oxa-6-thiacyclodeca-3,8-diyne
SYSTEMATIC NAME: 1-oxa-6-thiacyclodeca-3,8-diyne
MOLECULAR FORMULA: C8H8OS
MOLECULAR WEIGHT: 152.21352
SMILES: C1C#CCSCC#CCO1
Structure:
CAS RN: 127750-98-5
CAS Name: 3,6-dimethylene-7-oxabicyclo[2.2.1]heptane-2,5-dione
OPENEYE Name: 3,6-dimethylene-7-oxabicyclo[2.2.1]heptane-2,5-dione
IUPAC Name: 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione
SYSTEMATIC NAME: 3,6-dimethylidene-7-oxabicyclo[2.2.1]heptane-2,5-dione
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C=C1C2C(=O)C(=C)C(C1=O)O2
Structure:
CAS RN: 127750-96-3
CAS Name: 2,5,6-trimethylene-7-oxabicyclo[2.2.1]heptan-3-one
OPENEYE Name: 2,5,6-trimethylene-7-oxabicyclo[2.2.1]heptan-3-one
IUPAC Name: 2,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: 2,5,6-trimethylidene-7-oxabicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C=C1C2C(=C)C(=O)C(C1=C)O2
Structure:
CAS RN: 127257-80-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H28O
MOLECULAR WEIGHT: 548.67112
SMILES: C1=CC=C(C=C1)C2=C3C(=C(C4=CC=CC=C42)C5=CC=CC=C5)C6(C7=CC=CC=C7C3(O6)C8=CC=CC=C8)C9=CC=CC=C9
Structure:
CAS RN: 127142-69-2
CAS Name: 1,2,3-trichloro-4-isothiocyanatobenzene
OPENEYE Name: 1,2,3-trichloro-4-isothiocyanato-benzene
IUPAC Name: 1,2,3-trichloro-4-isothiocyanatobenzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4-isothiocyanato-benzene
MOLECULAR FORMULA: C7H2Cl3NS
MOLECULAR WEIGHT: 238.52148
SMILES: C1=CC(=C(C(=C1N=C=S)Cl)Cl)Cl
Structure:
CAS RN: 127142-66-9
CAS Name: 1-chloro-4-isothiocyanato-2-nitrobenzene
OPENEYE Name: 1-chloro-4-isothiocyanato-2-nitro-benzene
IUPAC Name: 1-chloro-4-isothiocyanato-2-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-4-isothiocyanato-2-nitro-benzene
MOLECULAR FORMULA: C7H3ClN2O2S
MOLECULAR WEIGHT: 214.62892
SMILES: C1=CC(=C(C=C1N=C=S)[N+](=O)[O-])Cl
Structure:
CAS RN: 126917-10-0
CAS Name: 2-fluoro-4-(trifluoromethyl)benzoyl chloride
OPENEYE Name: 2-fluoro-4-(trifluoromethyl)benzoyl chloride
IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzoyl chloride
SYSTEMATIC NAME: 2-fluoranyl-4-(trifluoromethyl)benzoyl chloride
MOLECULAR FORMULA: C8H3ClF4O
MOLECULAR WEIGHT: 226.555433
SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C(=O)Cl
Structure:
CAS RN: 126591-36-4
CAS Name: 5-[(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)methyl]-1,3-dimethyl-1,3,5-triazinan-2-one
OPENEYE Name: 5-[(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)methyl]-1,3-dimethyl-1,3,5-triazinan-2-one
IUPAC Name: 5-[(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)methyl]-1,3-dimethyl-1,3,5-triazinan-2-one
SYSTEMATIC NAME: 5-[(3,5-dimethyl-4-oxidanylidene-1,3,5-triazinan-1-yl)methyl]-1,3-dimethyl-1,3,5-triazinan-2-one
MOLECULAR FORMULA: C11H22N6O2
MOLECULAR WEIGHT: 270.33138
SMILES: CN1CN(CN(C1=O)C)CN2CN(C(=O)N(C2)C)C
Structure:
CAS RN: 126126-48-5
CAS Name: 3-ethenoxyhexa-1,2-diene
OPENEYE Name: 3-vinyloxyhexa-1,2-diene
IUPAC Name: 3-ethenoxyhexa-1,2-diene
SYSTEMATIC NAME: 3-ethenoxyhexa-1,2-diene
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCCC(=C=C)OC=C
Structure:
CAS RN: 125713-96-4
CAS Name: 1-(1-pyridin-1-iumylmethyl)benzotriazole
OPENEYE Name: 1-(pyridin-1-ium-1-ylmethyl)benzotriazole
IUPAC Name: 1-(pyridin-1-ium-1-ylmethyl)benzotriazole
SYSTEMATIC NAME: 1-(pyridin-1-ium-1-ylmethyl)benzotriazole
MOLECULAR FORMULA: C12H11N4+
MOLECULAR WEIGHT: 211.24254
SMILES: C1=CC=[N+](C=C1)CN2C3=CC=CC=C3N=N2
Structure:
CAS RN: 125713-89-5
CAS Name: 1-[bromo-(4-methylphenyl)methyl]pyridin-1-ium
OPENEYE Name: 1-[bromo(p-tolyl)methyl]pyridin-1-ium
IUPAC Name: 1-[bromo-(4-methylphenyl)methyl]pyridin-1-ium
SYSTEMATIC NAME: 1-[bromanyl-(4-methylphenyl)methyl]pyridin-1-ium
MOLECULAR FORMULA: C13H13BrN+
MOLECULAR WEIGHT: 263.15302
SMILES: CC1=CC=C(C=C1)C([N+]2=CC=CC=C2)Br
Structure:
CAS RN: 125713-87-3
CAS Name: 1-(2-methoxyethyl)pyridin-1-ium
OPENEYE Name: 1-(2-methoxyethyl)pyridin-1-ium
IUPAC Name: 1-(2-methoxyethyl)pyridin-1-ium
SYSTEMATIC NAME: 1-(2-methoxyethyl)pyridin-1-ium
MOLECULAR FORMULA: C8H12NO+
MOLECULAR WEIGHT: 138.18698
SMILES: COCC[N+]1=CC=CC=C1
Structure:
CAS RN: 125594-06-1
CAS Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
OPENEYE Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis[2-(4-hexylphenyl)ethynyl]benzene
MOLECULAR FORMULA: C90H102
MOLECULAR WEIGHT: 1183.77288
SMILES: CCCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCCC)C#CC4=CC=C(C=C4)CCCCCC)C#CC5=CC=C(C=C5)CCCCCC)C#CC6=CC=C(C=C6)CCCCCC)C#CC7=CC=C(C=C7)CCCCCC
Structure:
CAS RN: 125594-05-0
CAS Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene
OPENEYE Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene
IUPAC Name: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis[2-(4-pentylphenyl)ethynyl]benzene
MOLECULAR FORMULA: C84H90
MOLECULAR WEIGHT: 1099.6134
SMILES: CCCCCC1=CC=C(C=C1)C#CC2=C(C(=C(C(=C2C#CC3=CC=C(C=C3)CCCCC)C#CC4=CC=C(C=C4)CCCCC)C#CC5=CC=C(C=C5)CCCCC)C#CC6=CC=C(C=C6)CCCCC)C#CC7=CC=C(C=C7)CCCCC
Structure:
CAS RN: 125379-19-3
CAS Name: 3,4-diethyl-3,4-dimethoxyhexane
OPENEYE Name: 3,4-diethyl-3,4-dimethoxy-hexane
IUPAC Name: 3,4-diethyl-3,4-dimethoxyhexane
SYSTEMATIC NAME: 3,4-diethyl-3,4-dimethoxy-hexane
MOLECULAR FORMULA: C12H26O2
MOLECULAR WEIGHT: 202.33364
SMILES: CCC(CC)(C(CC)(CC)OC)OC
Structure:
CAS RN: 124287-82-7
CAS Name: 3,3-dimethoxy-2,2-dimethylbicyclo[2.2.1]heptane
OPENEYE Name: 2,2-dimethoxy-3,3-dimethyl-norbornane
IUPAC Name: 3,3-dimethoxy-2,2-dimethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3,3-dimethoxy-2,2-dimethyl-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC1(C2CCC(C2)C1(OC)OC)C
Structure:
CAS RN: 123973-25-1
CAS Name: 2-fluoro-3-(trifluoromethyl)aniline
OPENEYE Name: 2-fluoro-3-(trifluoromethyl)aniline
IUPAC Name: 2-fluoro-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-fluoranyl-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H5F4N
MOLECULAR WEIGHT: 179.114913
SMILES: C1=CC(=C(C(=C1)N)F)C(F)(F)F
Structure:
CAS RN: 122023-29-4
CAS Name: 1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanone
OPENEYE Name: 1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanone
IUPAC Name: 1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-fluoranyl-4-(trifluoromethyl)phenyl]ethanone
MOLECULAR FORMULA: C9H6F4O
MOLECULAR WEIGHT: 206.136953
SMILES: CC(=O)C1=C(C=C(C=C1)C(F)(F)F)F
Structure:
CAS RN: 121959-79-3
CAS Name: 2,2-dimethyldeca-3,4-diene
OPENEYE Name: 2,2-dimethyldeca-3,4-diene
IUPAC Name: 2,2-dimethyldeca-3,4-diene
SYSTEMATIC NAME: 2,2-dimethyldeca-3,4-diene
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CCCCCC=C=CC(C)(C)C
Structure:
CAS RN: 121928-38-9
CAS Name: 2-isothiocyanatobutanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-isothiocyanatobutanedioate
IUPAC Name: dimethyl 2-isothiocyanatobutanedioate
SYSTEMATIC NAME: dimethyl 2-isothiocyanatobutanedioate
MOLECULAR FORMULA: C7H9NO4S
MOLECULAR WEIGHT: 203.21566
SMILES: COC(=O)CC(C(=O)OC)N=C=S
Structure:
CAS RN: 121733-05-9
CAS Name: 5-methyl-3-methylenebicyclo[2.1.0]pentane
OPENEYE Name: 5-methyl-3-methylene-bicyclo[2.1.0]pentane
IUPAC Name: 5-methyl-3-methylidenebicyclo[2.1.0]pentane
SYSTEMATIC NAME: 5-methyl-3-methylidene-bicyclo[2.1.0]pentane
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC1C2C1C(=C)C2
Structure:
CAS RN: 121564-27-0
CAS Name: 1-ethynylsulfinylpropane
OPENEYE Name: 1-ethynylsulfinylpropane
IUPAC Name: 1-ethynylsulfinylpropane
SYSTEMATIC NAME: 1-ethynylsulfinylpropane
MOLECULAR FORMULA: C5H8OS
MOLECULAR WEIGHT: 116.18142
SMILES: CCCS(=O)C#C
Structure:
CAS RN: 121564-25-8
CAS Name: ethynesulfenic acid
OPENEYE Name: hydroxysulfanylacetylene
IUPAC Name: hydroxysulfanylethyne
SYSTEMATIC NAME: oxidanylsulfanylethyne
MOLECULAR FORMULA: C2H2OS
MOLECULAR WEIGHT: 74.10168
SMILES: C#CSO
Structure:
CAS RN: 120650-77-3
CAS Name: pentacosa-10,12-diynoic acid methyl ester
OPENEYE Name: methyl pentacosa-10,12-diynoate
IUPAC Name: methyl pentacosa-10,12-diynoate
SYSTEMATIC NAME: methyl pentacosa-10,12-diynoate
MOLECULAR FORMULA: C26H44O2
MOLECULAR WEIGHT: 388.62636
SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC
Structure:
CAS RN: 120375-47-5
CAS Name: 2-phenylethylammonium nitrate
OPENEYE Name: 2-phenylethylammonium nitrate
IUPAC Name: 2-phenylethylazanium nitrate
SYSTEMATIC NAME: 2-phenylethylazanium nitrate
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: C1=CC=C(C=C1)CC[NH3+].[N+](=O)([O-])[O-]
Structure:
CAS RN: 120375-45-3
CAS Name: 4-phenylbutylammonium nitrate
OPENEYE Name: 4-phenylbutylammonium nitrate
IUPAC Name: 4-phenylbutylazanium nitrate
SYSTEMATIC NAME: 4-phenylbutylazanium nitrate
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: C1=CC=C(C=C1)CCCC[NH3+].[N+](=O)([O-])[O-]
Structure:
CAS RN: 120375-43-1
CAS Name: 6-phenylhexylammonium nitrate
OPENEYE Name: 6-phenylhexylammonium nitrate
IUPAC Name: 6-phenylhexylazanium nitrate
SYSTEMATIC NAME: 6-phenylhexylazanium nitrate
MOLECULAR FORMULA: C12H20N2O3
MOLECULAR WEIGHT: 240.2988
SMILES: C1=CC=C(C=C1)CCCCCC[NH3+].[N+](=O)([O-])[O-]
Structure:
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