CAS RN: 2597-43-5
CAS Name: methanol
OPENEYE Name: methanol
IUPAC Name: methanol
SYSTEMATIC NAME: methanol
MOLECULAR FORMULA: CH3O
MOLECULAR WEIGHT: 31.03392
SMILES: [CH2]O
Structure:
CAS RN: 2596-93-2
CAS Name: N-(2-chlorophenyl)formamide
OPENEYE Name: N-(2-chlorophenyl)formamide
IUPAC Name: N-(2-chlorophenyl)formamide
SYSTEMATIC NAME: N-(2-chlorophenyl)methanamide
MOLECULAR FORMULA: C7H6ClNO
MOLECULAR WEIGHT: 155.58164
SMILES: C1=CC=C(C(=C1)NC=O)Cl
Structure:
CAS RN: 2587-02-2
CAS Name: 2,6-dichloro-4-pyridinamine
OPENEYE Name: 2,6-dichloropyridin-4-amine
IUPAC Name: 2,6-dichloropyridin-4-amine
SYSTEMATIC NAME: 2,6-bis(chloranyl)pyridin-4-amine
MOLECULAR FORMULA: C5H4Cl2N2
MOLECULAR WEIGHT: 163.00466
SMILES: C1=C(C=C(N=C1Cl)Cl)N
Structure:
CAS RN: 2579-21-7
CAS Name: 4,4-dimethyl-2-pentynal
OPENEYE Name: 4,4-dimethylpent-2-ynal
IUPAC Name: 4,4-dimethylpent-2-ynal
SYSTEMATIC NAME: 4,4-dimethylpent-2-ynal
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC(C)(C)C#CC=O
Structure:
CAS RN: 2574-03-0
CAS Name: 4-nitrobenzonitrile oxide
OPENEYE Name: 4-nitrobenzonitrile oxide
IUPAC Name: 4-nitrobenzonitrile oxide
SYSTEMATIC NAME: 4-nitrobenzenecarbonitrile oxide
MOLECULAR FORMULA: C7H4N2O3
MOLECULAR WEIGHT: 164.11826
SMILES: C1=CC(=CC=C1C#[N+][O-])[N+](=O)[O-]
Structure:
CAS RN: 2571-52-0
CAS Name: 2,4,6-trimethylbenzonitrile
OPENEYE Name: 2,4,6-trimethylbenzonitrile
IUPAC Name: 2,4,6-trimethylbenzonitrile
SYSTEMATIC NAME: 2,4,6-trimethylbenzenecarbonitrile
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=CC(=C(C(=C1)C)C#N)C
Structure:
CAS RN: 2571-05-3
CAS Name: 3-ethylheptanenitrile
OPENEYE Name: 3-ethylheptanenitrile
IUPAC Name: 3-ethylheptanenitrile
SYSTEMATIC NAME: 3-ethylheptanenitrile
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CCCCC(CC)CC#N
Structure:
CAS RN: 2570-01-6
CAS Name: 2,3-diphenyl-1-cycloprop-2-enethione
OPENEYE Name: 2,3-diphenylcycloprop-2-ene-1-thione
IUPAC Name: 2,3-diphenylcycloprop-2-ene-1-thione
SYSTEMATIC NAME: 2,3-diphenylcycloprop-2-ene-1-thione
MOLECULAR FORMULA: C15H10S
MOLECULAR WEIGHT: 222.3049
SMILES: C1=CC=C(C=C1)C2=C(C2=S)C3=CC=CC=C3
Structure:
CAS RN: 2568-61-8
CAS Name: N-methyl-N-prop-2-ynyl-2-propyn-1-amine
OPENEYE Name: N-methyl-N-prop-2-ynyl-prop-2-yn-1-amine
IUPAC Name: N-methyl-N-prop-2-ynylprop-2-yn-1-amine
SYSTEMATIC NAME: N-methyl-N-prop-2-ynyl-prop-2-yn-1-amine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CN(CC#C)CC#C
Structure:
CAS RN: 2568-17-4
CAS Name: 4-bicyclo[3.3.1]nonanone
OPENEYE Name: bicyclo[3.3.1]nonan-4-one
IUPAC Name: bicyclo[3.3.1]nonan-4-one
SYSTEMATIC NAME: bicyclo[3.3.1]nonan-4-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: C1CC2CCC(=O)C(C1)C2
Structure:
CAS RN: 2566-57-6
CAS Name: bicyclo[4.1.0]hept-4-ene
OPENEYE Name: bicyclo[4.1.0]hept-4-ene
IUPAC Name: bicyclo[4.1.0]hept-4-ene
SYSTEMATIC NAME: bicyclo[4.1.0]hept-4-ene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC2CC2C=C1
Structure:
CAS RN: 2566-48-5
CAS Name: 7-bicyclo[2.2.1]heptanol
OPENEYE Name: norbornan-7-ol
IUPAC Name: bicyclo[2.2.1]heptan-7-ol
SYSTEMATIC NAME: bicyclo[2.2.1]heptan-7-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C1CC2CCC1C2O
Structure:
CAS RN: 2566-44-1
CAS Name: 2-cyclopropylethanol
OPENEYE Name: 2-cyclopropylethanol
IUPAC Name: 2-cyclopropylethanol
SYSTEMATIC NAME: 2-cyclopropylethanol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C1CC1CCO
Structure:
CAS RN: 2565-39-1
CAS Name: 6-hepten-3-one
OPENEYE Name: hept-6-en-3-one
IUPAC Name: hept-6-en-3-one
SYSTEMATIC NAME: hept-6-en-3-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CCC(=O)CCC=C
Structure:
CAS RN: 2564-86-5
CAS Name: $l^{1}-oxidanylformaldehyde
OPENEYE Name: $l^{1}-oxidanylformaldehyde
IUPAC Name: $l^{1}-oxidanylformaldehyde
SYSTEMATIC NAME: $l^{1}-oxidanylmethanal
MOLECULAR FORMULA: CHO2
MOLECULAR WEIGHT: 45.01744
SMILES: C(=O)[O]
Structure:
CAS RN: 2564-05-8
CAS Name: 2-chloro-N-(3-chlorophenyl)acetamide
OPENEYE Name: 2-chloro-N-(3-chlorophenyl)acetamide
IUPAC Name: 2-chloro-N-(3-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-chlorophenyl)ethanamide
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)CCl
Structure:
CAS RN: 2562-42-7
CAS Name: 1-(nitromethyl)cyclopentene
OPENEYE Name: 1-(nitromethyl)cyclopentene
IUPAC Name: 1-(nitromethyl)cyclopentene
SYSTEMATIC NAME: 1-(nitromethyl)cyclopentene
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: C1CC=C(C1)C[N+](=O)[O-]
Structure:
CAS RN: 2557-70-2
CAS Name: 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
OPENEYE Name: 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
IUPAC Name: 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(1H-pyrrol-2-yl)ethanone
MOLECULAR FORMULA: C6H4F3NO
MOLECULAR WEIGHT: 163.09727
SMILES: C1=CNC(=C1)C(=O)C(F)(F)F
Structure:
CAS RN: 2550-36-9
CAS Name: bromomethylcyclohexane
OPENEYE Name: bromomethylcyclohexane
IUPAC Name: bromomethylcyclohexane
SYSTEMATIC NAME: bromomethylcyclohexane
MOLECULAR FORMULA: C7H13Br
MOLECULAR WEIGHT: 177.08212
SMILES: C1CCC(CC1)CBr
Structure:
CAS RN: 2550-28-9
CAS Name: 5-hexyn-2-one
OPENEYE Name: hex-5-yn-2-one
IUPAC Name: hex-5-yn-2-one
SYSTEMATIC NAME: hex-5-yn-2-one
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC(=O)CCC#C
Structure:
CAS RN: 2547-26-4
CAS Name: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
OPENEYE Name: 4a-methyldecalin
IUPAC Name: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SYSTEMATIC NAME: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CC12CCCCC1CCCC2
Structure:
CAS RN: 2547-27-5
CAS Name: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
OPENEYE Name: 4a-methyldecalin
IUPAC Name: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SYSTEMATIC NAME: 8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: CC12CCCCC1CCCC2
Structure:
CAS RN: 2540-31-0
CAS Name: 3-oxo-N,N-diphenylbutanamide
OPENEYE Name: 3-oxo-N,N-diphenyl-butanamide
IUPAC Name: 3-oxo-N,N-diphenylbutanamide
SYSTEMATIC NAME: 3-oxidanylidene-N,N-diphenyl-butanamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CC(=O)CC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 2534-80-7
CAS Name: 4-bicyclo[2.2.2]oct-2-enecarboxylic acid
OPENEYE Name: bicyclo[2.2.2]oct-2-ene-4-carboxylic acid
IUPAC Name: bicyclo[2.2.2]oct-2-ene-4-carboxylic acid
SYSTEMATIC NAME: bicyclo[2.2.2]oct-2-ene-4-carboxylic acid
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C1CC2(CCC1C=C2)C(=O)O
Structure:
CAS RN: 2532-67-4
CAS Name: 1,2,3,4-tetramethylcyclopentane
OPENEYE Name: 1,2,3,4-tetramethylcyclopentane
IUPAC Name: 1,2,3,4-tetramethylcyclopentane
SYSTEMATIC NAME: 1,2,3,4-tetramethylcyclopentane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CC(C(C1C)C)C
Structure:
CAS RN: 79042-54-9
CAS Name: 1,2,3,4-tetramethylcyclopentane
OPENEYE Name: 1,2,3,4-tetramethylcyclopentane
IUPAC Name: 1,2,3,4-tetramethylcyclopentane
SYSTEMATIC NAME: 1,2,3,4-tetramethylcyclopentane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CC1CC(C(C1C)C)C
Structure:
CAS RN: 2530-26-9
CAS Name: 3-nitropyridine
OPENEYE Name: 3-nitropyridine
IUPAC Name: 3-nitropyridine
SYSTEMATIC NAME: 3-nitropyridine
MOLECULAR FORMULA: C5H4N2O2
MOLECULAR WEIGHT: 124.09746
SMILES: C1=CC(=CN=C1)[N+](=O)[O-]
Structure:
CAS RN: 2529-39-7
CAS Name: 2,3,4,5-tetramethylbenzoic acid
OPENEYE Name: 2,3,4,5-tetramethylbenzoic acid
IUPAC Name: 2,3,4,5-tetramethylbenzoic acid
SYSTEMATIC NAME: 2,3,4,5-tetramethylbenzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=C(C(=C(C(=C1)C(=O)O)C)C)C
Structure:
CAS RN: 2527-96-0
CAS Name: 5-methyl-2-furancarboxylic acid methyl ester
OPENEYE Name: methyl 5-methylfuran-2-carboxylate
IUPAC Name: methyl 5-methylfuran-2-carboxylate
SYSTEMATIC NAME: methyl 5-methylfuran-2-carboxylate
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: CC1=CC=C(O1)C(=O)OC
Structure:
CAS RN: 2525-42-0
CAS Name: propa-1,2-dienylsulfonylbenzene
OPENEYE Name: propa-1,2-dienylsulfonylbenzene
IUPAC Name: propa-1,2-dienylsulfonylbenzene
SYSTEMATIC NAME: propa-1,2-dienylsulfonylbenzene
MOLECULAR FORMULA: C9H8O2S
MOLECULAR WEIGHT: 180.22362
SMILES: C=C=CS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 2525-41-9
CAS Name: prop-1-ynylsulfonylbenzene
OPENEYE Name: prop-1-ynylsulfonylbenzene
IUPAC Name: prop-1-ynylsulfonylbenzene
SYSTEMATIC NAME: prop-1-ynylsulfonylbenzene
MOLECULAR FORMULA: C9H8O2S
MOLECULAR WEIGHT: 180.22362
SMILES: CC#CS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 2525-40-8
CAS Name: prop-2-ynylsulfonylbenzene
OPENEYE Name: prop-2-ynylsulfonylbenzene
IUPAC Name: prop-2-ynylsulfonylbenzene
SYSTEMATIC NAME: prop-2-ynylsulfonylbenzene
MOLECULAR FORMULA: C9H8O2S
MOLECULAR WEIGHT: 180.22362
SMILES: C#CCS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 2518-42-5
CAS Name: 3,4-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium
OPENEYE Name: 3,4-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium
IUPAC Name: 3,4-dimethyl-2-oxido-1,2,5-oxadiazol-2-ium
SYSTEMATIC NAME: 3,4-dimethyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium
MOLECULAR FORMULA: C4H6N2O2
MOLECULAR WEIGHT: 114.10264
SMILES: CC1=NO[N+](=C1C)[O-]
Structure:
CAS RN: 2516-75-8
CAS Name: 4-dimethylsilyl-N,N-dimethylaniline
OPENEYE Name: 4-dimethylsilyl-N,N-dimethyl-aniline
IUPAC Name: 4-dimethylsilyl-N,N-dimethylaniline
SYSTEMATIC NAME: 4-dimethylsilyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C10H17NSi
MOLECULAR WEIGHT: 179.33418
SMILES: CN(C)C1=CC=C(C=C1)[SiH](C)C
Structure:
CAS RN: 2510-89-6
CAS Name: 1-[chloro(propoxy)phosphoryl]oxypropane
OPENEYE Name: 1-[chloro(propoxy)phosphoryl]oxypropane
IUPAC Name: 1-[chloro(propoxy)phosphoryl]oxypropane
SYSTEMATIC NAME: 1-[chloranyl(propoxy)phosphoryl]oxypropane
MOLECULAR FORMULA: C6H14ClO3P
MOLECULAR WEIGHT: 200.600321
SMILES: CCCOP(=O)(OCCC)Cl
Structure:
CAS RN: 2505-03-5
CAS Name: methylenecycloheptane
OPENEYE Name: methylenecycloheptane
IUPAC Name: methylidenecycloheptane
SYSTEMATIC NAME: methylidenecycloheptane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C=C1CCCCCC1
Structure:
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