CAS RN: 21792-52-9
CAS Name: 1,2-diethynylbenzene
OPENEYE Name: 1,2-diethynylbenzene
IUPAC Name: 1,2-diethynylbenzene
SYSTEMATIC NAME: 1,2-diethynylbenzene
MOLECULAR FORMULA: C10H6
MOLECULAR WEIGHT: 126.15464
SMILES: C#CC1=CC=CC=C1C#C
Structure:
CAS RN: 21776-17-0
CAS Name: N-[dimethylamino(ethenyl)phosphoryl]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino(vinyl)phosphoryl]-N-methyl-methanamine
IUPAC Name: N-[dimethylamino(ethenyl)phosphoryl]-N-methylmethanamine
SYSTEMATIC NAME: N-[dimethylamino(ethenyl)phosphoryl]-N-methyl-methanamine
MOLECULAR FORMULA: C6H15N2OP
MOLECULAR WEIGHT: 162.169861
SMILES: CN(C)P(=O)(C=C)N(C)C
Structure:
CAS RN: 21752-86-3
CAS Name: trimethyl(6-trimethylsilylhexa-1,3,5-triynyl)silane
OPENEYE Name: trimethyl(6-trimethylsilylhexa-1,3,5-triynyl)silane
IUPAC Name: trimethyl(6-trimethylsilylhexa-1,3,5-triynyl)silane
SYSTEMATIC NAME: trimethyl(6-trimethylsilylhexa-1,3,5-triynyl)silane
MOLECULAR FORMULA: C12H18Si2
MOLECULAR WEIGHT: 218.44232
SMILES: C[Si](C)(C)C#CC#CC#C[Si](C)(C)C
Structure:
CAS RN: 21752-80-7
CAS Name: trimethyl(3-trimethylsilylprop-1-ynyl)silane
OPENEYE Name: trimethyl(3-trimethylsilylprop-1-ynyl)silane
IUPAC Name: trimethyl(3-trimethylsilylprop-1-ynyl)silane
SYSTEMATIC NAME: trimethyl(3-trimethylsilylprop-1-ynyl)silane
MOLECULAR FORMULA: C9H20Si2
MOLECULAR WEIGHT: 184.4261
SMILES: C[Si](C)(C)CC#C[Si](C)(C)C
Structure:
CAS RN: 21752-78-3
CAS Name: trimethyl(4-trimethylsilylbut-2-ynyl)silane
OPENEYE Name: trimethyl(4-trimethylsilylbut-2-ynyl)silane
IUPAC Name: trimethyl(4-trimethylsilylbut-2-ynyl)silane
SYSTEMATIC NAME: trimethyl(4-trimethylsilylbut-2-ynyl)silane
MOLECULAR FORMULA: C10H22Si2
MOLECULAR WEIGHT: 198.45268
SMILES: C[Si](C)(C)CC#CC[Si](C)(C)C
Structure:
CAS RN: 21744-12-7
CAS Name: 3-nitroso-3-azabicyclo[2.2.2]octane
OPENEYE Name: 3-nitroso-3-azabicyclo[2.2.2]octane
IUPAC Name: 3-nitroso-3-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-nitroso-3-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H12N2O
MOLECULAR WEIGHT: 140.18298
SMILES: C1CC2CCC1CN2N=O
Structure:
CAS RN: 21714-25-0
CAS Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
OPENEYE Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-benzene
IUPAC Name: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
SYSTEMATIC NAME: 4-(2-isothiocyanatoethyl)-1,2-dimethoxy-benzene
MOLECULAR FORMULA: C11H13NO2S
MOLECULAR WEIGHT: 223.29142
SMILES: COC1=C(C=C(C=C1)CCN=C=S)OC
Structure:
CAS RN: 21667-62-9
CAS Name: 3-(3-chlorophenyl)-3-oxopropanenitrile
OPENEYE Name: 3-(3-chlorophenyl)-3-oxo-propanenitrile
IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-(3-chlorophenyl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC(=CC(=C1)Cl)C(=O)CC#N
Structure:
CAS RN: 21666-38-6
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane
MOLECULAR FORMULA: C6H14
MOLECULAR WEIGHT: 100.261625
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Structure:
CAS RN: 21663-51-4
CAS Name: 2-isothiocyanatoheptane
OPENEYE Name: 2-isothiocyanatoheptane
IUPAC Name: 2-isothiocyanatoheptane
SYSTEMATIC NAME: 2-isothiocyanatoheptane
MOLECULAR FORMULA: C8H15NS
MOLECULAR WEIGHT: 157.2764
SMILES: CCCCCC(C)N=C=S
Structure:
CAS RN: 21657-71-6
CAS Name: 4a,4b,8a,8b-tetrahydrobiphenylene
OPENEYE Name: 4a,4b,8a,8b-tetrahydrobiphenylene
IUPAC Name: 4a,4b,8a,8b-tetrahydrobiphenylene
SYSTEMATIC NAME: 4a,4b,8a,8b-tetrahydrobiphenylene
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1=CC2C(C=C1)C3C2C=CC=C3
Structure:
CAS RN: 21566-11-0
CAS Name: 4-(dimethylamino)-N,N-dimethylbenzamide
OPENEYE Name: 4-(dimethylamino)-N,N-dimethyl-benzamide
IUPAC Name: 4-(dimethylamino)-N,N-dimethylbenzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N(C)C
Structure:
CAS RN: 21565-41-3
CAS Name: 1-(1-tetrazolyl)ethanone
OPENEYE Name: 1-(tetrazol-1-yl)ethanone
IUPAC Name: 1-(tetrazol-1-yl)ethanone
SYSTEMATIC NAME: 1-(1,2,3,4-tetrazol-1-yl)ethanone
MOLECULAR FORMULA: C3H4N4O
MOLECULAR WEIGHT: 112.09006
SMILES: CC(=O)N1C=NN=N1
Structure:
CAS RN: 21549-02-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: FO3S
MOLECULAR WEIGHT: 99.061603
SMILES: O=S(=O)([O])F
Structure:
CAS RN: 21533-76-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11N
MOLECULAR WEIGHT: 205.25454
SMILES: CC1=CC2=CC=CC3=CC=C4C=CC1=C4N32
Structure:
CAS RN: 21524-34-5
CAS Name: 2-bromo-1,3,5-tri(propan-2-yl)benzene
OPENEYE Name: 2-bromo-1,3,5-triisopropyl-benzene
IUPAC Name: 2-bromo-1,3,5-tri(propan-2-yl)benzene
SYSTEMATIC NAME: 2-bromanyl-1,3,5-tri(propan-2-yl)benzene
MOLECULAR FORMULA: C15H23Br
MOLECULAR WEIGHT: 283.24712
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C
Structure:
CAS RN: 21524-26-5
CAS Name: 4-butylcyclohexene
OPENEYE Name: 4-butylcyclohexene
IUPAC Name: 4-butylcyclohexene
SYSTEMATIC NAME: 4-butylcyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CCCCC1CCC=CC1
Structure:
CAS RN: 21521-51-7
CAS Name: 1,3,5-tribromo-2-iodobenzene
OPENEYE Name: 1,3,5-tribromo-2-iodo-benzene
IUPAC Name: 1,3,5-tribromo-2-iodobenzene
SYSTEMATIC NAME: 1,3,5-tris(bromanyl)-2-iodanyl-benzene
MOLECULAR FORMULA: C6H2Br3I
MOLECULAR WEIGHT: 440.69655
SMILES: C1=C(C=C(C(=C1Br)I)Br)Br
Structure:
CAS RN: 21517-94-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H15
MOLECULAR WEIGHT: 135.2261
SMILES: C1C2CC3CC1CC(C2)[CH]3
Structure:
CAS RN: 21511-46-6
CAS Name: 1,3-dithietane 1,1,3,3-tetraoxide
OPENEYE Name: 1,3-dithietane 1,1,3,3-tetraoxide
IUPAC Name: 1,3-dithietane 1,1,3,3-tetraoxide
SYSTEMATIC NAME: 1,3-dithietane 1,1,3,3-tetraoxide
MOLECULAR FORMULA: C2H4O4S2
MOLECULAR WEIGHT: 156.18076
SMILES: C1S(=O)(=O)CS1(=O)=O
Structure:
CAS RN: 21504-43-8
CAS Name: 1,1-diethoxy-1-propene
OPENEYE Name: 1,1-diethoxyprop-1-ene
IUPAC Name: 1,1-diethoxyprop-1-ene
SYSTEMATIC NAME: 1,1-diethoxyprop-1-ene
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCOC(=CC)OCC
Structure:
CAS RN: 21494-33-7
CAS Name: methanone; nitroxyl anion; tributoxyphosphoranylideneiron
OPENEYE Name: methanone; nitroxyl anion; (tributoxy-$l^{5}-phosphanylidene)iron
IUPAC Name: methanone; nitroxyl anion; (tributoxy-$l^{5}-phosphanylidene)iron
SYSTEMATIC NAME: methanone; oxoazanide; (tributoxy-$l^{5}-phosphanylidene)iron
MOLECULAR FORMULA: C13H28FeN2O6P-3
MOLECULAR WEIGHT: 395.189981
SMILES: CCCCOP(=[Fe])(OCCCC)OCCCC.[CH-]=O.[N-]=O.[N-]=O
Structure:
CAS RN: 21494-31-5
CAS Name: nitroxyl anion; oxomethylidene(trimethoxyphosphoranylidene)iron
OPENEYE Name: nitroxyl anion; oxomethylene-(trimethoxy-$l^{5}-phosphanylidene)iron
IUPAC Name: nitroxyl anion; oxomethylidene-(trimethoxy-$l^{5}-phosphanylidene)iron
SYSTEMATIC NAME: oxidanylidenemethylidene-(trimethoxy-$l^{5}-phosphanylidene)iron; oxoazanide
MOLECULAR FORMULA: C4H9FeN2O6P-2
MOLECULAR WEIGHT: 267.942821
SMILES: COP(=[Fe]=C=O)(OC)OC.[N-]=O.[N-]=O
Structure:
CAS RN: 21488-68-6
CAS Name: 2-hydroxy-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
OPENEYE Name: 3-hydroxy-1,7,7-trimethyl-norbornan-2-one
IUPAC Name: 2-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: 4,7,7-trimethyl-2-oxidanyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC1(C2CCC1(C(=O)C2O)C)C
Structure:
CAS RN: 21459-04-1
CAS Name: heptathiepane
OPENEYE Name: heptathiepane
IUPAC Name: heptathiepane
SYSTEMATIC NAME: 1,2,3,4,5,6,7-heptathiepane
MOLECULAR FORMULA: S7
MOLECULAR WEIGHT: 224.455
SMILES: S1SSSSSS1
Structure:
CAS RN: 21441-24-7
CAS Name: 1-(4-fluorophenyl)imidazole
OPENEYE Name: 1-(4-fluorophenyl)imidazole
IUPAC Name: 1-(4-fluorophenyl)imidazole
SYSTEMATIC NAME: 1-(4-fluorophenyl)imidazole
MOLECULAR FORMULA: C9H7FN2
MOLECULAR WEIGHT: 162.163683
SMILES: C1=CC(=CC=C1N2C=CN=C2)F
Structure:
CAS RN: 21426-37-9
CAS Name: dispiro[2.0.2^{4}.2^{3}]octane
OPENEYE Name: dispiro[2.0.2^{4}.2^{3}]octane
IUPAC Name: dispiro[2.0.2^{4}.2^{3}]octane
SYSTEMATIC NAME: dispiro[2.0.2^{4}.2^{3}]octane
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC12CCC23CC3
Structure:
CAS RN: 21411-39-2
CAS Name: 1,3,5-tris(2,2-dimethylpropyl)benzene
OPENEYE Name: 1,3,5-tris(2,2-dimethylpropyl)benzene
IUPAC Name: 1,3,5-tris(2,2-dimethylpropyl)benzene
SYSTEMATIC NAME: 1,3,5-tris(2,2-dimethylpropyl)benzene
MOLECULAR FORMULA: C21H36
MOLECULAR WEIGHT: 288.51054
SMILES: CC(C)(C)CC1=CC(=CC(=C1)CC(C)(C)C)CC(C)(C)C
Structure:
CAS RN: 21411-35-8
CAS Name: (3,6-dimethyl-6-phenyloctan-3-yl)benzene
OPENEYE Name: (1-ethyl-1,4-dimethyl-4-phenyl-hexyl)benzene
IUPAC Name: (3,6-dimethyl-6-phenyloctan-3-yl)benzene
SYSTEMATIC NAME: (3,6-dimethyl-6-phenyl-octan-3-yl)benzene
MOLECULAR FORMULA: C22H30
MOLECULAR WEIGHT: 294.4736
SMILES: CCC(C)(CCC(C)(CC)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 21411-33-6
CAS Name: 6-phenyloctan-3-ylbenzene
OPENEYE Name: (1-ethyl-4-phenyl-hexyl)benzene
IUPAC Name: 6-phenyloctan-3-ylbenzene
SYSTEMATIC NAME: 6-phenyloctan-3-ylbenzene
MOLECULAR FORMULA: C20H26
MOLECULAR WEIGHT: 266.42044
SMILES: CCC(CCC(CC)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 21407-67-0
CAS Name: N,N,2,5-tetramethyl-1-pyrrolamine
OPENEYE Name: N,N,2,5-tetramethylpyrrol-1-amine
IUPAC Name: N,N,2,5-tetramethylpyrrol-1-amine
SYSTEMATIC NAME: N,N,2,5-tetramethylpyrrol-1-amine
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: CC1=CC=C(N1N(C)C)C
Structure:
CAS RN: 21383-06-2
CAS Name: 1,2-diphenyl-1-heptanone
OPENEYE Name: 1,2-diphenylheptan-1-one
IUPAC Name: 1,2-diphenylheptan-1-one
SYSTEMATIC NAME: 1,2-diphenylheptan-1-one
MOLECULAR FORMULA: C19H22O
MOLECULAR WEIGHT: 266.37738
SMILES: CCCCCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 21377-46-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: C1CCC23CCCCC2(C1)C(=O)C3=O
Structure:
CAS RN: 21377-45-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C1CCC23CC=CCC2(C1)C(=O)C3=O
Structure:
CAS RN: 21377-44-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C1C=CCC23C1(CC=CC2)C(=O)C3=O
Structure:
CAS RN: 21364-38-5
CAS Name: 3,4,5-trimethyl-2-thiazolethione
OPENEYE Name: 3,4,5-trimethylthiazole-2-thione
IUPAC Name: 3,4,5-trimethyl-1,3-thiazole-2-thione
SYSTEMATIC NAME: 3,4,5-trimethyl-1,3-thiazole-2-thione
MOLECULAR FORMULA: C6H9NS2
MOLECULAR WEIGHT: 159.27236
SMILES: CC1=C(SC(=S)N1C)C
Structure:
CAS RN: 21364-16-9
CAS Name: trimethyl-(4-trimethylgermylphenyl)germane
OPENEYE Name: trimethyl-(4-trimethylgermylphenyl)germane
IUPAC Name: trimethyl-(4-trimethylgermylphenyl)germane
SYSTEMATIC NAME: trimethyl-(4-trimethylgermylphenyl)germane
MOLECULAR FORMULA: C12H22Ge2
MOLECULAR WEIGHT: 311.58308
SMILES: C[Ge](C)(C)C1=CC=C(C=C1)[Ge](C)(C)C
Structure:
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