CAS RN: 2938-46-7
CAS Name: diiodo(methyl)alumane
OPENEYE Name: diiodo(methyl)alumane
IUPAC Name: diiodo(methyl)alumane
SYSTEMATIC NAME: bis(iodanyl)-methyl-alumane
MOLECULAR FORMULA: CH3AlI2
MOLECULAR WEIGHT: 295.824998
SMILES: C[Al](I)I
Structure:
CAS RN: 2932-82-3
CAS Name: acetonitrile
OPENEYE Name: acetonitrile
IUPAC Name: acetonitrile
SYSTEMATIC NAME: ethanenitrile
MOLECULAR FORMULA: C2H2N
MOLECULAR WEIGHT: 40.04398
SMILES: [CH2]C#N
Structure:
CAS RN: 2932-78-7
CAS Name: propa-1,2-diene
OPENEYE Name: allene
IUPAC Name: propa-1,2-diene
SYSTEMATIC NAME: propa-1,2-diene
MOLECULAR FORMULA: C3H3
MOLECULAR WEIGHT: 39.05592
SMILES: C=C=[CH]
Structure:
CAS RN: 2925-25-9
CAS Name: 2,2,2-trifluoroethanethioic S-acid
OPENEYE Name: 2,2,2-trifluoroethanethioic S-acid
IUPAC Name: 2,2,2-trifluoroethanethioic S-acid
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)ethanethioic S-acid
MOLECULAR FORMULA: C2HF3OS
MOLECULAR WEIGHT: 130.08895
SMILES: C(=O)(C(F)(F)F)S
Structure:
CAS RN: 2919-20-2
CAS Name: 1-methyl-4-[1-(4-methylphenyl)ethenyl]benzene
OPENEYE Name: 1-methyl-4-[1-(p-tolyl)vinyl]benzene
IUPAC Name: 1-methyl-4-[1-(4-methylphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[1-(4-methylphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: CC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)C
Structure:
CAS RN: 2919-19-9
CAS Name: 1-methyl-2-[1-(2-methylphenyl)ethenyl]benzene
OPENEYE Name: 1-methyl-2-[1-(o-tolyl)vinyl]benzene
IUPAC Name: 1-methyl-2-[1-(2-methylphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methyl-2-[1-(2-methylphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: CC1=CC=CC=C1C(=C)C2=CC=CC=C2C
Structure:
CAS RN: 2913-24-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: C1CC2=CC=C(CCCC3=CC=C(C1)C=C3)C=C2
Structure:
CAS RN: 2909-76-4
CAS Name: 2,4-ditert-butyl-N,N-dimethylaniline
OPENEYE Name: 2,4-ditert-butyl-N,N-dimethyl-aniline
IUPAC Name: 2,4-ditert-butyl-N,N-dimethylaniline
SYSTEMATIC NAME: 2,4-ditert-butyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H27N
MOLECULAR WEIGHT: 233.39228
SMILES: CC(C)(C)C1=CC(=C(C=C1)N(C)C)C(C)(C)C
Structure:
CAS RN: 2905-21-7
CAS Name: 2-fluorobenzenesulfonyl chloride
OPENEYE Name: 2-fluorobenzenesulfonyl chloride
IUPAC Name: 2-fluorobenzenesulfonyl chloride
SYSTEMATIC NAME: 2-fluoranylbenzenesulfonyl chloride
MOLECULAR FORMULA: C6H4ClFO2S
MOLECULAR WEIGHT: 194.611163
SMILES: C1=CC=C(C(=C1)F)S(=O)(=O)Cl
Structure:
CAS RN: 2904-59-8
CAS Name: 2,4,6-trimethoxybenzonitrile oxide
OPENEYE Name: 2,4,6-trimethoxybenzonitrile oxide
IUPAC Name: 2,4,6-trimethoxybenzonitrile oxide
SYSTEMATIC NAME: 2,4,6-trimethoxybenzenecarbonitrile oxide
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: COC1=CC(=C(C(=C1)OC)C#[N+][O-])OC
Structure:
CAS RN: 2904-57-6
CAS Name: 2,4,6-trimethylbenzonitrile oxide
OPENEYE Name: 2,4,6-trimethylbenzonitrile oxide
IUPAC Name: 2,4,6-trimethylbenzonitrile oxide
SYSTEMATIC NAME: 2,4,6-trimethylbenzenecarbonitrile oxide
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CC1=CC(=C(C(=C1)C)C#[N+][O-])C
Structure:
CAS RN: 18404-63-2
CAS Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
OPENEYE Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
IUPAC Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SYSTEMATIC NAME: 3,6-bis(oxidanyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
MOLECULAR FORMULA: C6H6O6
MOLECULAR WEIGHT: 174.10824
SMILES: C12C(C(C(=O)O1)O)OC(=O)C2O
Structure:
CAS RN: 2900-01-8
CAS Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
OPENEYE Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
IUPAC Name: 3,6-dihydroxy-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
SYSTEMATIC NAME: 3,6-bis(oxidanyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-2,5-dione
MOLECULAR FORMULA: C6H6O6
MOLECULAR WEIGHT: 174.10824
SMILES: C12C(C(C(=O)O1)O)OC(=O)C2O
Structure:
CAS RN: 2887-56-1
CAS Name: 1-(5-bromo-2-hydroxy-3-methylphenyl)-1-propanone
OPENEYE Name: 1-(5-bromo-2-hydroxy-3-methyl-phenyl)propan-1-one
IUPAC Name: 1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(5-bromanyl-3-methyl-2-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CCC(=O)C1=CC(=CC(=C1O)C)Br
Structure:
CAS RN: 2883-08-1
CAS Name: (3-cyclohexyl-2-methylpropyl)cyclohexane
OPENEYE Name: (3-cyclohexyl-2-methyl-propyl)cyclohexane
IUPAC Name: (3-cyclohexyl-2-methylpropyl)cyclohexane
SYSTEMATIC NAME: (3-cyclohexyl-2-methyl-propyl)cyclohexane
MOLECULAR FORMULA: C16H30
MOLECULAR WEIGHT: 222.4094
SMILES: CC(CC1CCCCC1)CC2CCCCC2
Structure:
CAS RN: 2882-98-6
CAS Name: nonylcyclopentane
OPENEYE Name: nonylcyclopentane
IUPAC Name: nonylcyclopentane
SYSTEMATIC NAME: nonylcyclopentane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CCCCCCCCCC1CCCC1
Structure:
CAS RN: 2876-29-1
CAS Name: 2-methoxy-10-oxidophenazin-10-ium
OPENEYE Name: 2-methoxy-10-oxido-phenazin-10-ium
IUPAC Name: 2-methoxy-10-oxidophenazin-10-ium
SYSTEMATIC NAME: 2-methoxy-10-oxidanidyl-phenazin-10-ium
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: COC1=CC2=[N+](C3=CC=CC=C3N=C2C=C1)[O-]
Structure:
CAS RN: 2875-98-1
CAS Name: N-methyl-N-silylmethanamine
OPENEYE Name: N-methyl-N-silyl-methanamine
IUPAC Name: N-methyl-N-silylmethanamine
SYSTEMATIC NAME: N-methyl-N-silanyl-methanamine
MOLECULAR FORMULA: C2H9NSi
MOLECULAR WEIGHT: 75.18506
SMILES: CN(C)[SiH3]
Structure:
CAS RN: 2875-96-9
CAS Name: 1,1,1,3,3,3-hexadeuteriopropane
OPENEYE Name: 1,1,1,3,3,3-hexadeuteriopropane
IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexadeuteriopropane
MOLECULAR FORMULA: C3H8
MOLECULAR WEIGHT: 50.132591
SMILES: [2H]C([2H])([2H])CC([2H])([2H])[2H]
Structure:
CAS RN: 2875-94-7
CAS Name: 1,1,1,2,2,3,3,3-octadeuteriopropane
OPENEYE Name: 1,1,1,2,2,3,3,3-octadeuteriopropane
IUPAC Name: 1,1,1,2,2,3,3,3-octadeuteriopropane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,3-octadeuteriopropane
MOLECULAR FORMULA: C3H8
MOLECULAR WEIGHT: 52.144914
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Structure:
CAS RN: 2875-18-5
CAS Name: 2,3,5,6-tetrafluoropyridine
OPENEYE Name: 2,3,5,6-tetrafluoropyridine
IUPAC Name: 2,3,5,6-tetrafluoropyridine
SYSTEMATIC NAME: 2,3,5,6-tetrakis(fluoranyl)pyridine
MOLECULAR FORMULA: C5HF4N
MOLECULAR WEIGHT: 151.061753
SMILES: C1=C(C(=NC(=C1F)F)F)F
Structure:
CAS RN: 2873-89-4
CAS Name: 4-chloro-N,N-diethylaniline
OPENEYE Name: 4-chloro-N,N-diethyl-aniline
IUPAC Name: 4-chloro-N,N-diethylaniline
SYSTEMATIC NAME: 4-chloranyl-N,N-diethyl-aniline
MOLECULAR FORMULA: C10H14ClN
MOLECULAR WEIGHT: 183.67786
SMILES: CCN(CC)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 2873-50-9
CAS Name: buta-1,2,3-triene
OPENEYE Name: buta-1,2,3-triene
IUPAC Name: buta-1,2,3-triene
SYSTEMATIC NAME: buta-1,2,3-triene
MOLECULAR FORMULA: C4H4
MOLECULAR WEIGHT: 52.07456
SMILES: C=C=C=C
Structure:
CAS RN: 2851-73-2
CAS Name: N-[borylene(difluoro)phosphoranyl]-N-methylmethanamine
OPENEYE Name: N-[boranylidene(difluoro)-$l^{5}-phosphanyl]-N-methyl-methanamine
IUPAC Name: N-[boranylidene(difluoro)-$l^{5}-phosphanyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[boranylidene-bis(fluoranyl)-$l^{5}-phosphanyl]-N-methyl-methanamine
MOLECULAR FORMULA: C2H7BF2NP
MOLECULAR WEIGHT: 124.865247
SMILES: B=P(N(C)C)(F)F
Structure:
CAS RN: 2848-62-6
CAS Name: trimethyl-(phenylmethyl)germane
OPENEYE Name: benzyl(trimethyl)germane
IUPAC Name: benzyl(trimethyl)germane
SYSTEMATIC NAME: trimethyl-(phenylmethyl)germane
MOLECULAR FORMULA: C10H16Ge
MOLECULAR WEIGHT: 208.87404
SMILES: C[Ge](C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 14563-31-6
CAS Name: 4-[2-(4-bromophenyl)ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[2-(4-bromophenyl)vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[2-(4-bromophenyl)ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[2-(4-bromophenyl)ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H16BrN
MOLECULAR WEIGHT: 302.20894
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br
Structure:
CAS RN: 2840-69-9
CAS Name: 3,3-diethyloxolane-2,5-dione
OPENEYE Name: 3,3-diethyltetrahydrofuran-2,5-dione
IUPAC Name: 3,3-diethyloxolane-2,5-dione
SYSTEMATIC NAME: 3,3-diethyloxolane-2,5-dione
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CCC1(CC(=O)OC1=O)CC
Structure:
CAS RN: 2835-21-4
CAS Name: 3-isocyano-1-propene
OPENEYE Name: 3-isocyanoprop-1-ene
IUPAC Name: 3-isocyanoprop-1-ene
SYSTEMATIC NAME: 3-isocyanoprop-1-ene
MOLECULAR FORMULA: C4H5N
MOLECULAR WEIGHT: 67.0892
SMILES: C=CC[N+]#[C-]
Structure:
CAS RN: 2832-49-7
CAS Name: N-(diethylsulfamoyl)-N-ethylethanamine
OPENEYE Name: N-(diethylsulfamoyl)-N-ethyl-ethanamine
IUPAC Name: N-(diethylsulfamoyl)-N-ethylethanamine
SYSTEMATIC NAME: N-(diethylsulfamoyl)-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H20N2O2S
MOLECULAR WEIGHT: 208.3216
SMILES: CCN(CC)S(=O)(=O)N(CC)CC
Structure:
CAS RN: 2828-65-1
CAS Name: 1,2-dimethyl-4-(phenylthio)benzene
OPENEYE Name: 1,2-dimethyl-4-phenylsulfanyl-benzene
IUPAC Name: 1,2-dimethyl-4-phenylsulfanylbenzene
SYSTEMATIC NAME: 1,2-dimethyl-4-phenylsulfanyl-benzene
MOLECULAR FORMULA: C14H14S
MOLECULAR WEIGHT: 214.32596
SMILES: CC1=C(C=C(C=C1)SC2=CC=CC=C2)C
Structure:
CAS RN: 16783-22-5
CAS Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: C1CCC2C(C1)CCC2=O
Structure:
CAS RN: 2826-65-5
CAS Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: C1CCC2C(C1)CCC2=O
Structure:
CAS RN: 29927-85-3
CAS Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydroinden-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: C1CCC2C(C1)CCC2=O
Structure:
CAS RN: 2826-28-0
CAS Name: 2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[[4-(dimethylamino)phenyl]methylene]propanedinitrile
IUPAC Name: 2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C#N
Structure:
CAS RN: 2820-37-3
CAS Name: 4,5-dimethyl-1H-pyrazole
OPENEYE Name: 4,5-dimethyl-1H-pyrazole
IUPAC Name: 4,5-dimethyl-1H-pyrazole
SYSTEMATIC NAME: 4,5-dimethyl-1H-pyrazole
MOLECULAR FORMULA: C5H8N2
MOLECULAR WEIGHT: 96.13042
SMILES: CC1=C(NN=C1)C
Structure:
CAS RN: 2819-57-0
CAS Name: 3-oxo-4-oxaspiro[4.5]decane-1-carboxylic acid methyl ester
OPENEYE Name: methyl 3-oxo-4-oxaspiro[4.5]decane-1-carboxylate
IUPAC Name: methyl 3-oxo-4-oxaspiro[4.5]decane-1-carboxylate
SYSTEMATIC NAME: methyl 3-oxidanylidene-4-oxaspiro[4.5]decane-1-carboxylate
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: COC(=O)C1CC(=O)OC12CCCCC2
Structure:
CAS RN: 2819-48-9
CAS Name: 1,2-dimethylenecyclohexane
OPENEYE Name: 1,2-dimethylenecyclohexane
IUPAC Name: 1,2-dimethylidenecyclohexane
SYSTEMATIC NAME: 1,2-dimethylidenecyclohexane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C=C1CCCCC1=C
Structure:
CAS RN: 2818-20-4
CAS Name: N-methyl-3-phenyldiazenylaniline
OPENEYE Name: N-methyl-3-phenylazo-aniline
IUPAC Name: N-methyl-3-phenyldiazenylaniline
SYSTEMATIC NAME: N-methyl-3-phenyldiazenyl-aniline
MOLECULAR FORMULA: C13H13N3
MOLECULAR WEIGHT: 211.26242
SMILES: CNC1=CC=CC(=C1)N=NC2=CC=CC=C2
Structure:
CAS RN: 2816-25-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C1CC2C=CC1C3C2C(=O)C=CC3=O
Structure:
CAS RN: 2814-79-1
CAS Name: ethylsilane
OPENEYE Name: ethylsilane
IUPAC Name: ethylsilane
SYSTEMATIC NAME: ethylsilane
MOLECULAR FORMULA: C2H8Si
MOLECULAR WEIGHT: 60.17042
SMILES: CC[SiH3]
Structure:
CAS RN: 2809-92-9
CAS Name: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-2-propanamine
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-amine
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-amine
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-(trifluoromethyl)propan-2-amine
MOLECULAR FORMULA: C4H2F9N
MOLECULAR WEIGHT: 235.051009
SMILES: C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)N
Structure:
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