CAS RN: 3329-56-4
CAS Name: 1-ethynoxybutane
OPENEYE Name: 1-ethynoxybutane
IUPAC Name: 1-ethynoxybutane
SYSTEMATIC NAME: 1-ethynoxybutane
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CCCCOC#C
Structure:
CAS RN: 3319-03-7
CAS Name: 2-(dimethylamino)-1-phenylethanone
OPENEYE Name: 2-(dimethylamino)-1-phenyl-ethanone
IUPAC Name: 2-(dimethylamino)-1-phenylethanone
SYSTEMATIC NAME: 2-(dimethylamino)-1-phenyl-ethanone
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CN(C)CC(=O)C1=CC=CC=C1
Structure:
CAS RN: 3315-42-2
CAS Name: 1-butyne
OPENEYE Name: but-1-yne
IUPAC Name: but-1-yne
SYSTEMATIC NAME: but-1-yne
MOLECULAR FORMULA: C4H5
MOLECULAR WEIGHT: 53.0825
SMILES: C[CH]C#C
Structure:
CAS RN: 3310-62-1
CAS Name: 2,3-diazabicyclo[2.2.2]oct-2-ene
OPENEYE Name: 2,3-diazabicyclo[2.2.2]oct-2-ene
IUPAC Name: 2,3-diazabicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 2,3-diazabicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: C1CC2CCC1N=N2
Structure:
CAS RN: 3306-69-2
CAS Name: 3-azabicyclo[2.2.2]octan-2-one
OPENEYE Name: 3-azabicyclo[2.2.2]octan-2-one
IUPAC Name: 3-azabicyclo[2.2.2]octan-2-one
SYSTEMATIC NAME: 3-azabicyclo[2.2.2]octan-2-one
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: C1CC2CCC1C(=O)N2
Structure:
CAS RN: 3302-87-2
CAS Name: 1-phenylphospholane
OPENEYE Name: 1-phenylphospholane
IUPAC Name: 1-phenylphospholane
SYSTEMATIC NAME: 1-phenylphospholane
MOLECULAR FORMULA: C10H13P
MOLECULAR WEIGHT: 164.183981
SMILES: C1CCP(C1)C2=CC=CC=C2
Structure:
CAS RN: 3302-52-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14O2
MOLECULAR WEIGHT: 334.36676
SMILES: C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6C=CC=CC6C5=O)C2=O
Structure:
CAS RN: 3302-51-0
CAS Name: 9,10-dimethyleneanthracene
OPENEYE Name: 9,10-dimethyleneanthracene
IUPAC Name: 9,10-dimethylideneanthracene
SYSTEMATIC NAME: 9,10-dimethylideneanthracene
MOLECULAR FORMULA: C16H12
MOLECULAR WEIGHT: 204.26648
SMILES: C=C1C2=CC=CC=C2C(=C)C3=CC=CC=C13
Structure:
CAS RN: 3299-64-7
CAS Name: N,N'-dicyclohexyloxamide
OPENEYE Name: N,N'-dicyclohexyloxamide
IUPAC Name: N,N'-dicyclohexyloxamide
SYSTEMATIC NAME: N,N'-dicyclohexylethanediamide
MOLECULAR FORMULA: C14H24N2O2
MOLECULAR WEIGHT: 252.35256
SMILES: C1CCC(CC1)NC(=O)C(=O)NC2CCCCC2
Structure:
CAS RN: 3297-72-1
CAS Name: 1-phenylisoquinoline
OPENEYE Name: 1-phenylisoquinoline
IUPAC Name: 1-phenylisoquinoline
SYSTEMATIC NAME: 1-phenylisoquinoline
MOLECULAR FORMULA: C15H11N
MOLECULAR WEIGHT: 205.25454
SMILES: C1=CC=C(C=C1)C2=NC=CC3=CC=CC=C32
Structure:
CAS RN: 3282-54-0
CAS Name: 1-cyclohexylcyclohexene
OPENEYE Name: 1-cyclohexylcyclohexene
IUPAC Name: 1-cyclohexylcyclohexene
SYSTEMATIC NAME: 1-cyclohexylcyclohexene
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: C1CCC(CC1)C2=CCCCC2
Structure:
CAS RN: 3282-53-9
CAS Name: 1-butylcyclohexene
OPENEYE Name: 1-butylcyclohexene
IUPAC Name: 1-butylcyclohexene
SYSTEMATIC NAME: 1-butylcyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CCCCC1=CCCCC1
Structure:
CAS RN: 3282-18-6
CAS Name: (1-phenylcyclopropyl)benzene
OPENEYE Name: (1-phenylcyclopropyl)benzene
IUPAC Name: (1-phenylcyclopropyl)benzene
SYSTEMATIC NAME: (1-phenylcyclopropyl)benzene
MOLECULAR FORMULA: C15H14
MOLECULAR WEIGHT: 194.27166
SMILES: C1CC1(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 3278-94-2
CAS Name: 5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
OPENEYE Name: 5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
IUPAC Name: 5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
SYSTEMATIC NAME: 5,8,8-trimethylbicyclo[3.2.1]octane-2,4-dione
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1(C2CCC1(C(=O)CC2=O)C)C
Structure:
CAS RN: 3278-88-4
CAS Name: 1,2,4-tribromo-5-methylbenzene
OPENEYE Name: 1,2,4-tribromo-5-methyl-benzene
IUPAC Name: 1,2,4-tribromo-5-methylbenzene
SYSTEMATIC NAME: 1,2,4-tris(bromanyl)-5-methyl-benzene
MOLECULAR FORMULA: C7H5Br3
MOLECULAR WEIGHT: 328.8266
SMILES: CC1=CC(=C(C=C1Br)Br)Br
Structure:
CAS RN: 3272-86-4
CAS Name: trimethyl(trimethylsilylmethylidene)phosphorane
OPENEYE Name: trimethyl(trimethylsilylmethylene)-$l^{5}-phosphane
IUPAC Name: trimethyl(trimethylsilylmethylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: trimethyl(trimethylsilylmethylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C7H19PSi
MOLECULAR WEIGHT: 162.285021
SMILES: C[Si](C)(C)C=P(C)(C)C
Structure:
CAS RN: 3268-61-9
CAS Name: 2,7-dimethylimidazo[1,2-a]pyridine
OPENEYE Name: 2,7-dimethylimidazo[1,2-a]pyridine
IUPAC Name: 2,7-dimethylimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2,7-dimethylimidazo[1,2-a]pyridine
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=CC2=NC(=CN2C=C1)C
Structure:
CAS RN: 3264-99-1
CAS Name: propanenitrile
OPENEYE Name: propanenitrile
IUPAC Name: propanenitrile
SYSTEMATIC NAME: propanenitrile
MOLECULAR FORMULA: C3H4N
MOLECULAR WEIGHT: 54.07056
SMILES: C[CH]C#N
Structure:
CAS RN: 3261-87-8
CAS Name: 1,4-oxathiane-2,6-dione
OPENEYE Name: 1,4-oxathiane-2,6-dione
IUPAC Name: 1,4-oxathiane-2,6-dione
SYSTEMATIC NAME: 1,4-oxathiane-2,6-dione
MOLECULAR FORMULA: C4H4O3S
MOLECULAR WEIGHT: 132.13776
SMILES: C1C(=O)OC(=O)CS1
Structure:
CAS RN: 3257-49-6
CAS Name: 1-(4-bromobutoxy)-4-methylbenzene
OPENEYE Name: 1-(4-bromobutoxy)-4-methyl-benzene
IUPAC Name: 1-(4-bromobutoxy)-4-methylbenzene
SYSTEMATIC NAME: 1-(4-bromanylbutoxy)-4-methyl-benzene
MOLECULAR FORMULA: C11H15BrO
MOLECULAR WEIGHT: 243.1402
SMILES: CC1=CC=C(C=C1)OCCCCBr
Structure:
CAS RN: 3248-60-0
CAS Name: 1,1,1,2,3,3,3-heptafluoropropane
OPENEYE Name: 1,1,1,2,3,3,3-heptafluoropropane
IUPAC Name: 1,1,1,2,3,3,3-heptafluoropropane
SYSTEMATIC NAME: 1,1,1,2,3,3,3-heptakis(fluoranyl)propane
MOLECULAR FORMULA: C3F7
MOLECULAR WEIGHT: 169.020922
SMILES: [C](C(F)(F)F)(C(F)(F)F)F
Structure:
CAS RN: 3248-58-6
CAS Name: 1,1,1-trifluoroethane
OPENEYE Name: 1,1,1-trifluoroethane
IUPAC Name: 1,1,1-trifluoroethane
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)ethane
MOLECULAR FORMULA: C2H2F3
MOLECULAR WEIGHT: 83.03249
SMILES: [CH2]C(F)(F)F
Structure:
CAS RN: 3246-04-6
CAS Name: 1-(butylamino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(butylamino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(butylamino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-(butylamino)-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CCCCNCC(COC1=CC=CC=C1)O
Structure:
CAS RN: 3235-51-6
CAS Name: 2-methoxy-N,N-bis(2-methoxyethyl)ethanamine
OPENEYE Name: 2-methoxy-N,N-bis(2-methoxyethyl)ethanamine
IUPAC Name: 2-methoxy-N,N-bis(2-methoxyethyl)ethanamine
SYSTEMATIC NAME: 2-methoxy-N,N-bis(2-methoxyethyl)ethanamine
MOLECULAR FORMULA: C9H21NO3
MOLECULAR WEIGHT: 191.26794
SMILES: COCCN(CCOC)CCOC
Structure:
CAS RN: 3227-91-6
CAS Name: 1,2,3,4-tetramethylenecyclobutane
OPENEYE Name: 1,2,3,4-tetramethylenecyclobutane
IUPAC Name: 1,2,3,4-tetramethylidenecyclobutane
SYSTEMATIC NAME: 1,2,3,4-tetramethylidenecyclobutane
MOLECULAR FORMULA: C8H8
MOLECULAR WEIGHT: 104.14912
SMILES: C=C1C(=C)C(=C)C1=C
Structure:
CAS RN: 3227-90-5
CAS Name: 1,2,3-trimethylenecyclopropane
OPENEYE Name: 1,2,3-trimethylenecyclopropane
IUPAC Name: 1,2,3-trimethylidenecyclopropane
SYSTEMATIC NAME: 1,2,3-trimethylidenecyclopropane
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: C=C1C(=C)C1=C
Structure:
CAS RN: 3225-31-8
CAS Name: 2-methylpropanenitrile
OPENEYE Name: 2-methylpropanenitrile
IUPAC Name: 2-methylpropanenitrile
SYSTEMATIC NAME: 2-methylpropanenitrile
MOLECULAR FORMULA: C4H6N
MOLECULAR WEIGHT: 68.09714
SMILES: C[C](C)C#N
Structure:
CAS RN: 3224-48-4
CAS Name: 1-isothiocyanatotetradecane
OPENEYE Name: 1-isothiocyanatotetradecane
IUPAC Name: 1-isothiocyanatotetradecane
SYSTEMATIC NAME: 1-isothiocyanatotetradecane
MOLECULAR FORMULA: C15H29NS
MOLECULAR WEIGHT: 255.46246
SMILES: CCCCCCCCCCCCCCN=C=S
Structure:
CAS RN: 3222-47-7
CAS Name: 6-methyl-3-pyridinecarboxylic acid
OPENEYE Name: 6-methylpyridine-3-carboxylic acid
IUPAC Name: 6-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-methylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: CC1=NC=C(C=C1)C(=O)O
Structure:
CAS RN: 3217-87-6
CAS Name: 3-methylenecyclohexa-1,4-diene
OPENEYE Name: 3-methylenecyclohexa-1,4-diene
IUPAC Name: 3-methylidenecyclohexa-1,4-diene
SYSTEMATIC NAME: 3-methylidenecyclohexa-1,4-diene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: C=C1C=CCC=C1
Structure:
CAS RN: 3213-29-4
CAS Name: 2-(2,3-dimethoxyphenyl)ethanamine
OPENEYE Name: 2-(2,3-dimethoxyphenyl)ethanamine
IUPAC Name: 2-(2,3-dimethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)ethanamine
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC1=CC=CC(=C1OC)CCN
Structure:
CAS RN: 3213-28-3
CAS Name: 2-(3,5-dimethoxyphenyl)ethanamine
OPENEYE Name: 2-(3,5-dimethoxyphenyl)ethanamine
IUPAC Name: 2-(3,5-dimethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)ethanamine
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC1=CC(=CC(=C1)CCN)OC
Structure:
CAS RN: 3187-94-8
CAS Name: 2-chlorofuran
OPENEYE Name: 2-chlorofuran
IUPAC Name: 2-chlorofuran
SYSTEMATIC NAME: 2-chloranylfuran
MOLECULAR FORMULA: C4H3ClO
MOLECULAR WEIGHT: 102.51902
SMILES: C1=COC(=C1)Cl
Structure:
CAS RN: 3178-29-8
CAS Name: 4-propylheptane
OPENEYE Name: 4-propylheptane
IUPAC Name: 4-propylheptane
SYSTEMATIC NAME: 4-propylheptane
MOLECULAR FORMULA: C10H22
MOLECULAR WEIGHT: 142.28168
SMILES: CCCC(CCC)CCC
Structure:
CAS RN: 3178-24-3
CAS Name: 3-cyclohexylpropylcyclohexane
OPENEYE Name: 3-cyclohexylpropylcyclohexane
IUPAC Name: 3-cyclohexylpropylcyclohexane
SYSTEMATIC NAME: 3-cyclohexylpropylcyclohexane
MOLECULAR FORMULA: C15H28
MOLECULAR WEIGHT: 208.38282
SMILES: C1CCC(CC1)CCCC2CCCCC2
Structure:
CAS RN: 3174-49-0
CAS Name: 1-$l^{1}-oxidanyl-2-methylbenzene
OPENEYE Name: 1-$l^{1}-oxidanyl-2-methyl-benzene
IUPAC Name: 1-$l^{1}-oxidanyl-2-methylbenzene
SYSTEMATIC NAME: 1-$l^{1}-oxidanyl-2-methyl-benzene
MOLECULAR FORMULA: C7H7O
MOLECULAR WEIGHT: 107.12988
SMILES: CC1=CC=CC=C1[O]
Structure:
CAS RN: 3174-48-9
CAS Name: 1-$l^{1}-oxidanyl-4-methylbenzene
OPENEYE Name: 1-$l^{1}-oxidanyl-4-methyl-benzene
IUPAC Name: 1-$l^{1}-oxidanyl-4-methylbenzene
SYSTEMATIC NAME: 1-$l^{1}-oxidanyl-4-methyl-benzene
MOLECULAR FORMULA: C7H7O
MOLECULAR WEIGHT: 107.12988
SMILES: CC1=CC=C(C=C1)[O]
Structure:
CAS RN: 3170-79-4
CAS Name: 1,1,1,2,2,3,3-heptafluoropropane
OPENEYE Name: 1,1,1,2,2,3,3-heptafluoropropane
IUPAC Name: 1,1,1,2,2,3,3-heptafluoropropane
SYSTEMATIC NAME: 1,1,1,2,2,3,3-heptakis(fluoranyl)propane
MOLECULAR FORMULA: C3F7
MOLECULAR WEIGHT: 169.020922
SMILES: [C](C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 3170-69-2
CAS Name: ethanone
OPENEYE Name: ethanone
IUPAC Name: ethanone
SYSTEMATIC NAME: ethanone
MOLECULAR FORMULA: C2H3O
MOLECULAR WEIGHT: 43.04462
SMILES: C[C]=O
Structure:
CAS RN: 3170-58-9
CAS Name: cyclohexane
OPENEYE Name: cyclohexane
IUPAC Name: cyclohexane
SYSTEMATIC NAME: cyclohexane
MOLECULAR FORMULA: C6H11
MOLECULAR WEIGHT: 83.15154
SMILES: C1CC[CH]CC1
Structure:
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