CAS RN: 712-25-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C1CC2C3C4C1C5C2C(=O)C3C4C5=O
Structure:
CAS RN: 711-38-6
CAS Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone
OPENEYE Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone
IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-1-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C9H7F3O2
MOLECULAR WEIGHT: 204.14589
SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
Structure:
CAS RN: 711-33-1
CAS Name: 1-[4-(trifluoromethyl)phenyl]-1-propanone
OPENEYE Name: 1-[4-(trifluoromethyl)phenyl]propan-1-one
IUPAC Name: 1-[4-(trifluoromethyl)phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-(trifluoromethyl)phenyl]propan-1-one
MOLECULAR FORMULA: C10H9F3O
MOLECULAR WEIGHT: 202.17307
SMILES: CCC(=O)C1=CC=C(C=C1)C(F)(F)F
Structure:
CAS RN: 711-01-3
CAS Name: 1-adamantanecarboxylic acid methyl ester
OPENEYE Name: methyl adamantane-1-carboxylate
IUPAC Name: methyl adamantane-1-carboxylate
SYSTEMATIC NAME: methyl adamantane-1-carboxylate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: COC(=O)C12CC3CC(C1)CC(C3)C2
Structure:
CAS RN: 707-35-7
CAS Name: 1,3,5-trimethyladamantane
OPENEYE Name: 1,3,5-trimethyladamantane
IUPAC Name: 1,3,5-trimethyladamantane
SYSTEMATIC NAME: 1,3,5-trimethyladamantane
MOLECULAR FORMULA: C13H22
MOLECULAR WEIGHT: 178.31378
SMILES: CC12CC3CC(C1)(CC(C3)(C2)C)C
Structure:
CAS RN: 705-82-8
CAS Name: 2-(4-chloro-3-methylphenoxy)ethanol
OPENEYE Name: 2-(4-chloro-3-methyl-phenoxy)ethanol
IUPAC Name: 2-(4-chloro-3-methylphenoxy)ethanol
SYSTEMATIC NAME: 2-(4-chloranyl-3-methyl-phenoxy)ethanol
MOLECULAR FORMULA: C9H11ClO2
MOLECULAR WEIGHT: 186.63544
SMILES: CC1=C(C=CC(=C1)OCCO)Cl
Structure:
CAS RN: 704-02-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1C2C3C4CC5C3C1C6C2C4C56
Structure:
CAS RN: 703-87-7
CAS Name: 1,2,4,5-tetrafluoro-3,6-dimethylbenzene
OPENEYE Name: 1,2,4,5-tetrafluoro-3,6-dimethyl-benzene
IUPAC Name: 1,2,4,5-tetrafluoro-3,6-dimethylbenzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(fluoranyl)-3,6-dimethyl-benzene
MOLECULAR FORMULA: C8H6F4
MOLECULAR WEIGHT: 178.126853
SMILES: CC1=C(C(=C(C(=C1F)F)C)F)F
Structure:
CAS RN: 703-86-6
CAS Name: 2,4,6-trichloro-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
OPENEYE Name: 2,4,6-trichloro-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
IUPAC Name: 2,4,6-trichloro-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-1,3,5-trimethyl-1,3,5,2,4,6-triazatriborinane
MOLECULAR FORMULA: C3H9B3Cl3N3
MOLECULAR WEIGHT: 225.91566
SMILES: B1(N(B(N(B(N1C)Cl)C)Cl)C)Cl
Structure:
CAS RN: 703-56-0
CAS Name: 3-phenyl-2-oxazolidinone
OPENEYE Name: 3-phenyloxazolidin-2-one
IUPAC Name: 3-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1COC(=O)N1C2=CC=CC=C2
Structure:
CAS RN: 703-34-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: C1CCC2C3CCC(C2C1)CC3
Structure:
CAS RN: 702-98-7
CAS Name: 2-methyl-2-adamantanol
OPENEYE Name: 2-methyladamantan-2-ol
IUPAC Name: 2-methyladamantan-2-ol
SYSTEMATIC NAME: 2-methyladamantan-2-ol
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1(C2CC3CC(C2)CC1C3)O
Structure:
CAS RN: 702-67-0
CAS Name: 1-methyl-4-bicyclo[2.2.2]octanecarboxylic acid
OPENEYE Name: 1-methylbicyclo[2.2.2]octane-4-carboxylic acid
IUPAC Name: 1-methylbicyclo[2.2.2]octane-4-carboxylic acid
SYSTEMATIC NAME: 1-methylbicyclo[2.2.2]octane-4-carboxylic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC12CCC(CC1)(CC2)C(=O)O
Structure:
CAS RN: 702-32-9
CAS Name: cycloundecyne
OPENEYE Name: cycloundecyne
IUPAC Name: cycloundecyne
SYSTEMATIC NAME: cycloundecyne
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: C1CCCCC#CCCCC1
Structure:
CAS RN: 701-83-7
CAS Name: acetic acid (3-fluorophenyl) ester
OPENEYE Name: (3-fluorophenyl) acetate
IUPAC Name: (3-fluorophenyl) acetate
SYSTEMATIC NAME: (3-fluorophenyl) ethanoate
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: CC(=O)OC1=CC(=CC=C1)F
Structure:
CAS RN: 701-58-6
CAS Name: 5,5-dimethyl-3-(methylamino)-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CC1(CC(=CC(=O)C1)NC)C
Structure:
CAS RN: 701-30-4
CAS Name: 1-tert-butyl-4-fluorobenzene
OPENEYE Name: 1-tert-butyl-4-fluoro-benzene
IUPAC Name: 1-tert-butyl-4-fluorobenzene
SYSTEMATIC NAME: 1-tert-butyl-4-fluoranyl-benzene
MOLECULAR FORMULA: C10H13F
MOLECULAR WEIGHT: 152.208623
SMILES: CC(C)(C)C1=CC=C(C=C1)F
Structure:
CAS RN: 700-96-9
CAS Name: 3,4-dimethoxybenzenethiol
OPENEYE Name: 3,4-dimethoxybenzenethiol
IUPAC Name: 3,4-dimethoxybenzenethiol
SYSTEMATIC NAME: 3,4-dimethoxybenzenethiol
MOLECULAR FORMULA: C8H10O2S
MOLECULAR WEIGHT: 170.2288
SMILES: COC1=C(C=C(C=C1)S)OC
Structure:
CAS RN: 700-88-9
CAS Name: cyclopentylbenzene
OPENEYE Name: cyclopentylbenzene
IUPAC Name: cyclopentylbenzene
SYSTEMATIC NAME: cyclopentylbenzene
MOLECULAR FORMULA: C11H14
MOLECULAR WEIGHT: 146.22886
SMILES: C1CCC(C1)C2=CC=CC=C2
Structure:
CAS RN: 700-84-5
CAS Name: 5-fluoro-2,3-dihydroinden-1-one
OPENEYE Name: 5-fluoroindan-1-one
IUPAC Name: 5-fluoro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-fluoranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7FO
MOLECULAR WEIGHT: 150.149683
SMILES: C1CC(=O)C2=C1C=C(C=C2)F
Structure:
CAS RN: 700-75-4
CAS Name: 2-methoxy-N,N-dimethylaniline
OPENEYE Name: 2-methoxy-N,N-dimethyl-aniline
IUPAC Name: 2-methoxy-N,N-dimethylaniline
SYSTEMATIC NAME: 2-methoxy-N,N-dimethyl-aniline
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CN(C)C1=CC=CC=C1OC
Structure:
CAS RN: 700-56-1
CAS Name: 2-methyladamantane
OPENEYE Name: 2-methyladamantane
IUPAC Name: 2-methyladamantane
SYSTEMATIC NAME: 2-methyladamantane
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CC1C2CC3CC(C2)CC1C3
Structure:
CAS RN: 699-55-8
CAS Name: 4-bicyclo[2.2.2]octanecarboxylic acid
OPENEYE Name: bicyclo[2.2.2]octane-4-carboxylic acid
IUPAC Name: bicyclo[2.2.2]octane-4-carboxylic acid
SYSTEMATIC NAME: bicyclo[2.2.2]octane-4-carboxylic acid
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CC2(CCC1CC2)C(=O)O
Structure:
CAS RN: 699-35-4
CAS Name: 2,2,3,3,4,4-hexafluoro-1-cyclobutanone
OPENEYE Name: 2,2,3,3,4,4-hexafluorocyclobutanone
IUPAC Name: 2,2,3,3,4,4-hexafluorocyclobutan-1-one
SYSTEMATIC NAME: 2,2,3,3,4,4-hexakis(fluoranyl)cyclobutan-1-one
MOLECULAR FORMULA: C4F6O
MOLECULAR WEIGHT: 178.032619
SMILES: C1(=O)C(C(C1(F)F)(F)F)(F)F
Structure:
CAS RN: 699-20-7
CAS Name: 1,4-bis(methylthio)benzene
OPENEYE Name: 1,4-bis(methylsulfanyl)benzene
IUPAC Name: 1,4-bis(methylsulfanyl)benzene
SYSTEMATIC NAME: 1,4-bis(methylsulfanyl)benzene
MOLECULAR FORMULA: C8H10S2
MOLECULAR WEIGHT: 170.295
SMILES: CSC1=CC=C(C=C1)SC
Structure:
CAS RN: 698-70-4
CAS Name: 4-iodo-N,N-dimethylaniline
OPENEYE Name: 4-iodo-N,N-dimethyl-aniline
IUPAC Name: 4-iodo-N,N-dimethylaniline
SYSTEMATIC NAME: 4-iodanyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C8H10IN
MOLECULAR WEIGHT: 247.07617
SMILES: CN(C)C1=CC=C(C=C1)I
Structure:
CAS RN: 698-69-1
CAS Name: 4-chloro-N,N-dimethylaniline
OPENEYE Name: 4-chloro-N,N-dimethyl-aniline
IUPAC Name: 4-chloro-N,N-dimethylaniline
SYSTEMATIC NAME: 4-chloranyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C8H10ClN
MOLECULAR WEIGHT: 155.6247
SMILES: CN(C)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 698-53-3
CAS Name: 1-(4-fluorophenyl)aziridine
OPENEYE Name: 1-(4-fluorophenyl)aziridine
IUPAC Name: 1-(4-fluorophenyl)aziridine
SYSTEMATIC NAME: 1-(4-fluorophenyl)aziridine
MOLECULAR FORMULA: C8H8FN
MOLECULAR WEIGHT: 137.154223
SMILES: C1CN1C2=CC=C(C=C2)F
Structure:
CAS RN: 14085-34-8
CAS Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
OPENEYE Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
IUPAC Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
MOLECULAR FORMULA: C7H8S3
MOLECULAR WEIGHT: 188.33342
SMILES: C1CCC2=C(C1)SC(=S)S2
Structure:
CAS RN: 698-42-0
CAS Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
OPENEYE Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
IUPAC Name: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1,3-benzodithiole-2-thione
MOLECULAR FORMULA: C7H8S3
MOLECULAR WEIGHT: 188.33342
SMILES: C1CCC2=C(C1)SC(=S)S2
Structure:
CAS RN: 698-00-0
CAS Name: 2-bromo-N,N-dimethylaniline
OPENEYE Name: 2-bromo-N,N-dimethyl-aniline
IUPAC Name: 2-bromo-N,N-dimethylaniline
SYSTEMATIC NAME: 2-bromanyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: CN(C)C1=CC=CC=C1Br
Structure:
CAS RN: 696-79-7
CAS Name: 2,2,4-trimethyl-1,3-dioxane
OPENEYE Name: 2,2,4-trimethyl-1,3-dioxane
IUPAC Name: 2,2,4-trimethyl-1,3-dioxane
SYSTEMATIC NAME: 2,2,4-trimethyl-1,3-dioxane
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CC1CCOC(O1)(C)C
Structure:
CAS RN: 696-75-3
CAS Name: cyclopropane-1,2-dicarboxylic acid
OPENEYE Name: cyclopropane-1,2-dicarboxylic acid
IUPAC Name: cyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: cyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C5H6O4
MOLECULAR WEIGHT: 130.09874
SMILES: C1C(C1C(=O)O)C(=O)O
Structure:
CAS RN: 1489-58-3
CAS Name: cyclopropane-1,2-dicarboxylic acid
OPENEYE Name: cyclopropane-1,2-dicarboxylic acid
IUPAC Name: cyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: cyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C5H6O4
MOLECULAR WEIGHT: 130.09874
SMILES: C1C(C1C(=O)O)C(=O)O
Structure:
CAS RN: 696-68-4
CAS Name: 1-(1-cyclopenta-2,4-dienylidene)-N,N-dimethylmethanamine
OPENEYE Name: 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-methanamine
IUPAC Name: 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CN(C)C=C1C=CC=C1
Structure:
CAS RN: 696-57-1
CAS Name: 4-prop-2-enylmorpholine
OPENEYE Name: 4-allylmorpholine
IUPAC Name: 4-prop-2-enylmorpholine
SYSTEMATIC NAME: 4-prop-2-enylmorpholine
MOLECULAR FORMULA: C7H13NO
MOLECULAR WEIGHT: 127.18422
SMILES: C=CCN1CCOCC1
Structure:
CAS RN: 696-32-2
CAS Name: difluoromethylidenecyclohexane
OPENEYE Name: difluoromethylenecyclohexane
IUPAC Name: difluoromethylidenecyclohexane
SYSTEMATIC NAME: bis(fluoranyl)methylidenecyclohexane
MOLECULAR FORMULA: C7H10F2
MOLECULAR WEIGHT: 132.151106
SMILES: C1CCC(=C(F)F)CC1
Structure:
CAS RN: 696-26-4
CAS Name: dimethyl(phenyl)arsine
OPENEYE Name: dimethyl(phenyl)arsane
IUPAC Name: dimethyl(phenyl)arsane
SYSTEMATIC NAME: dimethyl(phenyl)arsane
MOLECULAR FORMULA: C8H11As
MOLECULAR WEIGHT: 182.09454
SMILES: C[As](C)C1=CC=CC=C1
Structure:
CAS RN: 696-02-6
CAS Name: 4-chloro-1,2-difluorobenzene
OPENEYE Name: 4-chloro-1,2-difluoro-benzene
IUPAC Name: 4-chloro-1,2-difluorobenzene
SYSTEMATIC NAME: 4-chloranyl-1,2-bis(fluoranyl)benzene
MOLECULAR FORMULA: C6H3ClF2
MOLECULAR WEIGHT: 148.537826
SMILES: C1=CC(=C(C=C1Cl)F)F
Structure:
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