CAS RN: 518-81-0
CAS Name: 3,8,9-trihydroxy-6-methyl-2,3-dihydroanthracene-1,10-dione
OPENEYE Name: 3,8,9-trihydroxy-6-methyl-2,3-dihydroanthracene-1,10-dione
IUPAC Name: 3,8,9-trihydroxy-6-methyl-2,3-dihydroanthracene-1,10-dione
SYSTEMATIC NAME: 6-methyl-3,8,9-tris(oxidanyl)-2,3-dihydroanthracene-1,10-dione
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(CC(=O)C3=C2O)O)O
Structure:
CAS RN: 503-47-9
CAS Name: 1,3,3-trimethylcyclohexene
OPENEYE Name: 1,3,3-trimethylcyclohexene
IUPAC Name: 1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 1,3,3-trimethylcyclohexene
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC1=CC(CCC1)(C)C
Structure:
CAS RN: 502-75-0
CAS Name: 11-hydroxyhexadecanoic acid
OPENEYE Name: 11-hydroxyhexadecanoic acid
IUPAC Name: 11-hydroxyhexadecanoic acid
SYSTEMATIC NAME: 11-oxidanylhexadecanoic acid
MOLECULAR FORMULA: C16H32O3
MOLECULAR WEIGHT: 272.42348
SMILES: CCCCCC(CCCCCCCCCC(=O)O)O
Structure:
CAS RN: 497-67-6
CAS Name: 5-methyl-2-(1-methylethenyl)-4-hexenoic acid
OPENEYE Name: 2-isopropenyl-5-methyl-hex-4-enoic acid
IUPAC Name: 5-methyl-2-prop-1-en-2-ylhex-4-enoic acid
SYSTEMATIC NAME: 5-methyl-2-prop-1-en-2-yl-hex-4-enoic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=CCC(C(=C)C)C(=O)O)C
Structure:
CAS RN: 484-92-4
CAS Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-2-imidazolidinethione
OPENEYE Name: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
SYSTEMATIC NAME: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
MOLECULAR FORMULA: C6H10N4S
MOLECULAR WEIGHT: 170.2354
SMILES: C1CN=C(N1)N2CCNC2=S
Structure:
CAS RN: 485-13-2
CAS Name: 1-(4,5-dihydro-1H-imidazol-2-yl)-2-imidazolidinethione
OPENEYE Name: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
SYSTEMATIC NAME: 1-(4,5-dihydro-1H-imidazol-2-yl)imidazolidine-2-thione
MOLECULAR FORMULA: C6H10N4S
MOLECULAR WEIGHT: 170.2354
SMILES: C1CN=C(N1)N2CCNC2=S
Structure:
CAS RN: 484-88-8
CAS Name: 6-chloro-2-hydroxy-1-methyl-4-oxo-3-pyridinecarbonitrile
OPENEYE Name: 6-chloro-2-hydroxy-1-methyl-4-oxo-pyridine-3-carbonitrile
IUPAC Name: 6-chloro-2-hydroxy-1-methyl-4-oxopyridine-3-carbonitrile
SYSTEMATIC NAME: 6-chloranyl-1-methyl-2-oxidanyl-4-oxidanylidene-pyridine-3-carbonitrile
MOLECULAR FORMULA: C7H5ClN2O2
MOLECULAR WEIGHT: 184.5798
SMILES: CN1C(=CC(=O)C(=C1O)C#N)Cl
Structure:
CAS RN: 484-27-5
CAS Name: 1-(6-hydroxy-4-methoxy-5-benzofuranyl)ethanone
OPENEYE Name: 1-(6-hydroxy-4-methoxy-benzofuran-5-yl)ethanone
IUPAC Name: 1-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(4-methoxy-6-oxidanyl-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: CC(=O)C1=C(C=C2C(=C1OC)C=CO2)O
Structure:
CAS RN: 479-58-3
CAS Name: 2,3-dihydro-1H-phenalene
OPENEYE Name: 2,3-dihydro-1H-phenalene
IUPAC Name: 2,3-dihydro-1H-phenalene
SYSTEMATIC NAME: 2,3-dihydro-1H-phenalene
MOLECULAR FORMULA: C13H12
MOLECULAR WEIGHT: 168.23438
SMILES: C1CC2=CC=CC3=C2C(=CC=C3)C1
Structure:
CAS RN: 471-90-9
CAS Name: 2,6,6-trimethyl-1-cyclohexenecarboxylic acid
OPENEYE Name: 2,6,6-trimethylcyclohexene-1-carboxylic acid
IUPAC Name: 2,6,6-trimethylcyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 2,6,6-trimethylcyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC1=C(C(CCC1)(C)C)C(=O)O
Structure:
CAS RN: 460-99-1
CAS Name: 2-chloro-1,1,2-trifluoro-1-(trichloromethoxy)ethane
OPENEYE Name: 2-chloro-1,1,2-trifluoro-1-(trichloromethoxy)ethane
IUPAC Name: 2-chloro-1,1,2-trifluoro-1-(trichloromethoxy)ethane
SYSTEMATIC NAME: 2-chloranyl-1,1,2-tris(fluoranyl)-1-(trichloromethyloxy)ethane
MOLECULAR FORMULA: C3HCl4F3O
MOLECULAR WEIGHT: 251.84665
SMILES: C(C(OC(Cl)(Cl)Cl)(F)F)(F)Cl
Structure:
CAS RN: 447-03-0
CAS Name: 2-(4-fluorophenyl)-3-oxobutanenitrile
OPENEYE Name: 2-(4-fluorophenyl)-3-oxo-butanenitrile
IUPAC Name: 2-(4-fluorophenyl)-3-oxobutanenitrile
SYSTEMATIC NAME: 2-(4-fluorophenyl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C10H8FNO
MOLECULAR WEIGHT: 177.175023
SMILES: CC(=O)C(C#N)C1=CC=C(C=C1)F
Structure:
CAS RN: 442-09-1
CAS Name: 6-fluoro-3-methyl-1H-quinolin-4-one
OPENEYE Name: 6-fluoro-3-methyl-1H-quinolin-4-one
IUPAC Name: 6-fluoro-3-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-fluoranyl-3-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C10H8FNO
MOLECULAR WEIGHT: 177.175023
SMILES: CC1=CNC2=C(C1=O)C=C(C=C2)F
Structure:
CAS RN: 433-68-1
CAS Name: 2,3,3-trifluoro-2-propenoic acid
OPENEYE Name: 2,3,3-trifluoroprop-2-enoic acid
IUPAC Name: 2,3,3-trifluoroprop-2-enoic acid
SYSTEMATIC NAME: 2,3,3-tris(fluoranyl)prop-2-enoic acid
MOLECULAR FORMULA: C3HF3O2
MOLECULAR WEIGHT: 126.03405
SMILES: C(=C(F)F)(C(=O)O)F
Structure:
CAS RN: 433-47-6
CAS Name: 3-fluoro-2-hydroxypropanoic acid
OPENEYE Name: 3-fluoro-2-hydroxy-propanoic acid
IUPAC Name: 3-fluoro-2-hydroxypropanoic acid
SYSTEMATIC NAME: 3-fluoranyl-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C3H5FO3
MOLECULAR WEIGHT: 108.068403
SMILES: C(C(C(=O)O)O)F
Structure:
CAS RN: 429-77-6
CAS Name: fluoro-tris(phenylmethyl)stannane
OPENEYE Name: tribenzyl(fluoro)stannane
IUPAC Name: tribenzyl(fluoro)stannane
SYSTEMATIC NAME: fluoranyl-tris(phenylmethyl)stannane
MOLECULAR FORMULA: C21H21FSn
MOLECULAR WEIGHT: 411.099843
SMILES: C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(CC3=CC=CC=C3)F
Structure:
CAS RN: 428-96-6
CAS Name: 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
OPENEYE Name: 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoro-ethane
IUPAC Name: 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
SYSTEMATIC NAME: 1-[bis(chloranyl)methoxy]-2-chloranyl-1,1,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C3H2Cl3F3O
MOLECULAR WEIGHT: 217.40159
SMILES: C(C(OC(Cl)Cl)(F)F)(F)Cl
Structure:
CAS RN: 424-37-3
CAS Name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid ethenyl ester
OPENEYE Name: vinyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
IUPAC Name: ethenyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SYSTEMATIC NAME: ethenyl 2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanoate
MOLECULAR FORMULA: C7H3F9O2
MOLECULAR WEIGHT: 290.083149
SMILES: C=COC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 421-04-5
CAS Name: 1-chloro-1,1,2-trifluoroethane
OPENEYE Name: 1-chloro-1,1,2-trifluoro-ethane
IUPAC Name: 1-chloro-1,1,2-trifluoroethane
SYSTEMATIC NAME: 1-chloranyl-1,1,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C2H2ClF3
MOLECULAR WEIGHT: 118.48549
SMILES: C(C(F)(F)Cl)F
Structure:
CAS RN: 408-38-8
CAS Name: 1-fluorohexadecane
OPENEYE Name: 1-fluorohexadecane
IUPAC Name: 1-fluorohexadecane
SYSTEMATIC NAME: 1-fluoranylhexadecane
MOLECULAR FORMULA: C16H33F
MOLECULAR WEIGHT: 244.431623
SMILES: CCCCCCCCCCCCCCCCF
Structure:
CAS RN: 407-37-4
CAS Name: 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C4H3F6NO
MOLECULAR WEIGHT: 195.063139
SMILES: C(C(F)(F)F)NC(=O)C(F)(F)F
Structure:
CAS RN: 400-49-7
CAS Name: 1,1,1,4,4,4-hexafluoro-2-butanone
OPENEYE Name: 1,1,1,4,4,4-hexafluorobutan-2-one
IUPAC Name: 1,1,1,4,4,4-hexafluorobutan-2-one
SYSTEMATIC NAME: 1,1,1,4,4,4-hexakis(fluoranyl)butan-2-one
MOLECULAR FORMULA: C4H2F6O
MOLECULAR WEIGHT: 180.048499
SMILES: C(C(=O)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 393-05-5
CAS Name: 1,2,4-tris(trifluoromethyl)benzene
OPENEYE Name: 1,2,4-tris(trifluoromethyl)benzene
IUPAC Name: 1,2,4-tris(trifluoromethyl)benzene
SYSTEMATIC NAME: 1,2,4-tris(trifluoromethyl)benzene
MOLECULAR FORMULA: C9H3F9
MOLECULAR WEIGHT: 282.105749
SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 392-68-7
CAS Name: 2,3,3-trifluoro-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 2,3,3-trifluoroprop-2-enoate
IUPAC Name: ethyl 2,3,3-trifluoroprop-2-enoate
SYSTEMATIC NAME: ethyl 2,3,3-tris(fluoranyl)prop-2-enoate
MOLECULAR FORMULA: C5H5F3O2
MOLECULAR WEIGHT: 154.08721
SMILES: CCOC(=O)C(=C(F)F)F
Structure:
CAS RN: 392-09-6
CAS Name: 2-fluoro-4-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 2-fluoro-4-nitro-benzoate
IUPAC Name: methyl 2-fluoro-4-nitrobenzoate
SYSTEMATIC NAME: methyl 2-fluoranyl-4-nitro-benzoate
MOLECULAR FORMULA: C8H6FNO4
MOLECULAR WEIGHT: 199.135943
SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F
Structure:
CAS RN: 390-43-2
CAS Name: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanoic acid
OPENEYE Name: 3-(4-fluorophenyl)-3-(p-tolyl)propanoic acid
IUPAC Name: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)-3-(4-methylphenyl)propanoic acid
MOLECULAR FORMULA: C16H15FO2
MOLECULAR WEIGHT: 258.287503
SMILES: CC1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)F
Structure:
CAS RN: 385-83-1
CAS Name: 1-(ethylamino)-4-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
OPENEYE Name: 1-(ethylamino)-4-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
IUPAC Name: 1-(ethylamino)-4-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(ethylamino)-4-[2,2,2-tris(fluoranyl)ethylamino]anthracene-9,10-dione
MOLECULAR FORMULA: C18H15F3N2O2
MOLECULAR WEIGHT: 348.31911
SMILES: CCNC1=C2C(=C(C=C1)NCC(F)(F)F)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 383-61-9
CAS Name: 2,2-dichloro-2-fluoroacetic acid ethyl ester
OPENEYE Name: ethyl 2,2-dichloro-2-fluoro-acetate
IUPAC Name: ethyl 2,2-dichloro-2-fluoroacetate
SYSTEMATIC NAME: ethyl 2,2-bis(chloranyl)-2-fluoranyl-ethanoate
MOLECULAR FORMULA: C4H5Cl2FO2
MOLECULAR WEIGHT: 174.985703
SMILES: CCOC(=O)C(F)(Cl)Cl
Structure:
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