CAS RN: 98476-65-4
CAS Name: 5-cyano-N-cyclopropyl-1-(2-pyridinyl)-4-pyrazolecarboxamide
OPENEYE Name: 5-cyano-N-cyclopropyl-1-(2-pyridyl)pyrazole-4-carboxamide
IUPAC Name: 5-cyano-N-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-cyano-N-cyclopropyl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C13H11N5O
MOLECULAR WEIGHT: 253.25934
SMILES: C1CC1NC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C#N
Structure:
CAS RN: 98475-67-3
CAS Name: 5-cyano-1-(2,4-dichlorophenyl)-N-methyl-4-pyrazolecarboxamide
OPENEYE Name: 5-cyano-1-(2,4-dichlorophenyl)-N-methyl-pyrazole-4-carboxamide
IUPAC Name: 5-cyano-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-cyano-1-(2,4-dichlorophenyl)-N-methyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C12H8Cl2N4O
MOLECULAR WEIGHT: 295.12412
SMILES: CNC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)Cl)Cl)C#N
Structure:
CAS RN: 98475-60-6
CAS Name: 5-cyano-N-methyl-1-(2-pyridinyl)-4-pyrazolecarboxamide
OPENEYE Name: 5-cyano-N-methyl-1-(2-pyridyl)pyrazole-4-carboxamide
IUPAC Name: 5-cyano-N-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: 5-cyano-N-methyl-1-pyridin-2-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C11H9N5O
MOLECULAR WEIGHT: 227.22206
SMILES: CNC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C#N
Structure:
CAS RN: 98365-91-4
CAS Name: heptadecanoic acid
OPENEYE Name: heptadecanoic acid
IUPAC Name: heptadecanoic acid
SYSTEMATIC NAME: heptadecanoic acid
MOLECULAR FORMULA: C17H34O2
MOLECULAR WEIGHT: 272.443202
SMILES: CCCCCCCCCCCCCCCC[14C](=O)O
Structure:
CAS RN: 98207-13-7
CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester hydrochloride
OPENEYE Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-(4-isobutylphenyl)propanoate hydrochloride
IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate hydrochloride
SYSTEMATIC NAME: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate hydrochloride
MOLECULAR FORMULA: C25H34Cl2N2O2
MOLECULAR WEIGHT: 465.45566
SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC(=CC=C3)Cl.Cl
Structure:
CAS RN: 98183-93-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H80N2O22
MOLECULAR WEIGHT: 1181.2774
SMILES: CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)OC4CC5C(C(O4)C)OC6C(O5)CC(=O)C(O6)C)N(C)C)C(=C7C(=C2)C(=O)C8=C(C=CC(=C8C7=O)O)O)O)OC9CC(C(C(O9)C)OC1CC2C(C(O1)C)OC1C(O2)CC(=O)C(O1)C)N(C)C)O
Structure:
CAS RN: 98086-60-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36O10
MOLECULAR WEIGHT: 604.64364
SMILES: CC1CC2C34C(C(C5(C(C3C6C(O6)(C(C2(C1=O)O)O)CO)OC(O4)(O5)C7=CC=CC=C7)C(=C)C)OC(=O)C8=CC=CC=C8)C
Structure:
CAS RN: 97953-25-8
CAS Name: disodium; hydrogen sulfite; 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonate; 2-propenoic acid
OPENEYE Name: disodium; acrylic acid; hydrogen sulfite; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
IUPAC Name: disodium; hydrogen sulfite; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate; prop-2-enoic acid
SYSTEMATIC NAME: disodium; hydrogen sulfite; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate; prop-2-enoic acid
MOLECULAR FORMULA: C10H17NNa2O9S2
MOLECULAR WEIGHT: 405.35282
SMILES: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.C=CC(=O)O.OS(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 97925-92-3
CAS Name: aniline; benzenesulfonic acid; nitrobenzene
OPENEYE Name: aniline; benzenesulfonic acid; nitrobenzene
IUPAC Name: aniline; benzenesulfonic acid; nitrobenzene
SYSTEMATIC NAME: aniline; benzenesulfonic acid; nitrobenzene
MOLECULAR FORMULA: C18H18N2O5S
MOLECULAR WEIGHT: 374.41092
SMILES: C1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 97901-22-9
CAS Name: 6-(1-imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride
OPENEYE Name: 2-(imidazol-1-ylmethyl)tetralin-6-carboxylic acid hydrochloride
IUPAC Name: 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride
SYSTEMATIC NAME: 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride
MOLECULAR FORMULA: C15H17ClN2O2
MOLECULAR WEIGHT: 292.76068
SMILES: C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.Cl
Structure:
CAS RN: 97747-93-8
CAS Name: (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[[(2S)-1-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-
OPENEYE Name: (2S)-N-[(1S)-3-amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[(2-aminoacetyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-methanethioyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]pro
IUPAC Name: (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulf
SYSTEMATIC NAME: (2S)-N-[(2S)-4-azanyl-1-[[(2R)-1-[(2S)-2-[[(2S)-1-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]-2-[[(2S)-
MOLECULAR FORMULA: C53H76N14O12S2
MOLECULAR WEIGHT: 1165.38714
SMILES: CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CN)NC(=O)CC4(CCCCC4)S
Structure:
CAS RN: 97746-12-8
CAS Name: 6-[(2,3-dimethyl-5-nitro-4-imidazolyl)thio]-7H-purine
OPENEYE Name: 6-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine
IUPAC Name: 6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
SYSTEMATIC NAME: 6-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine
MOLECULAR FORMULA: C10H9N7O2S
MOLECULAR WEIGHT: 291.28916
SMILES: CC1=NC(=C(N1C)SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Structure:
CAS RN: 97741-74-7
CAS Name: 7-bromo-2,3-dichlorodibenzo-p-dioxin
OPENEYE Name: 7-bromo-2,3-dichloro-dibenzo-p-dioxin
IUPAC Name: 7-bromo-2,3-dichlorodibenzo-p-dioxin
SYSTEMATIC NAME: 7-bromanyl-2,3-bis(chloranyl)dibenzo-p-dioxin
MOLECULAR FORMULA: C12H5BrCl2O2
MOLECULAR WEIGHT: 331.9769
SMILES: C1=CC2=C(C=C1Br)OC3=CC(=C(C=C3O2)Cl)Cl
Structure:
CAS RN: 97720-49-5
CAS Name: 4-(5-bromo-2-furanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(5-bromo-2-furyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(5-bromofuran-2-yl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(5-bromanylfuran-2-yl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C12H15BrO4
MOLECULAR WEIGHT: 303.1491
SMILES: CCCC12COC(OC1)(OC2)C3=CC=C(O3)Br
Structure:
CAS RN: 97720-48-4
CAS Name: 4-(1-cyclohex-3-enyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cyclohex-3-en-1-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cyclohex-3-en-1-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cyclohex-3-en-1-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H22O3
MOLECULAR WEIGHT: 238.32268
SMILES: CCCC12COC(OC1)(OC2)C3CCC=CC3
Structure:
CAS RN: 97720-47-3
CAS Name: 4-(3-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-norbornan-2-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(3-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(3-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CCCC12COC(OC1)(OC2)C3CC4CCC3C4
Structure:
CAS RN: 97720-46-2
CAS Name: 4-(4-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-norbornan-1-yl-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-bicyclo[2.2.1]heptanyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: CCCC12COC(OC1)(OC2)C34CCC(C3)CC4
Structure:
CAS RN: 97720-45-1
CAS Name: 1-tert-butyl-4-(phenylmethyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-benzyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-benzyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-(phenylmethyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C16H22O3
MOLECULAR WEIGHT: 262.34408
SMILES: CC(C)(C)C12COC(OC1)(OC2)CC3=CC=CC=C3
Structure:
CAS RN: 97720-44-0
CAS Name: 4-(1,2-dibromoethyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(1,2-dibromoethyl)-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(1,2-dibromoethyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-[1,2-bis(bromanyl)ethyl]-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C10H16Br2O3
MOLECULAR WEIGHT: 344.04024
SMILES: CC(C)C12COC(OC1)(OC2)C(CBr)Br
Structure:
CAS RN: 97720-43-9
CAS Name: 4-(1-bromoethyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(1-bromoethyl)-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(1-bromoethyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(1-bromoethyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C10H17BrO3
MOLECULAR WEIGHT: 265.14418
SMILES: CC(C)C12COC(OC1)(OC2)C(C)Br
Structure:
CAS RN: 97720-42-8
CAS Name: 1-tert-butyl-4-ethynyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-tert-butyl-4-ethynyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-tert-butyl-4-ethynyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-ethynyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(C)(C)C12COC(OC1)(OC2)C#C
Structure:
CAS RN: 97720-41-7
CAS Name: 4-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-ethynyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-ethynyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: CC(C)C12COC(OC1)(OC2)C#C
Structure:
CAS RN: 97720-40-6
CAS Name: 4-ethenyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-isopropyl-4-vinyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-ethenyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-ethenyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C10H16O3
MOLECULAR WEIGHT: 184.23224
SMILES: CC(C)C12COC(OC1)(OC2)C=C
Structure:
CAS RN: 97720-39-3
CAS Name: 1-tert-butyl-4-cycloheptyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-tert-butyl-4-cycloheptyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-tert-butyl-4-cycloheptyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-cycloheptyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C16H28O3
MOLECULAR WEIGHT: 268.39172
SMILES: CC(C)(C)C12COC(OC1)(OC2)C3CCCCCC3
Structure:
CAS RN: 97720-38-2
CAS Name: 4-cycloheptyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cycloheptyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cycloheptyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cycloheptyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CC(C)C12COC(OC1)(OC2)C3CCCCCC3
Structure:
CAS RN: 97720-37-1
CAS Name: 1-tert-butyl-4-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-tert-butyl-4-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-tert-butyl-4-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CC(C)(C)C12COC(OC1)(OC2)C3CCCCC3
Structure:
CAS RN: 97720-36-0
CAS Name: 4-cyclohexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cyclohexyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cyclohexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cyclohexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H24O3
MOLECULAR WEIGHT: 240.33856
SMILES: CC(C)C12COC(OC1)(OC2)C3CCCCC3
Structure:
CAS RN: 97720-35-9
CAS Name: 4-cyclopentyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cyclopentyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cyclopentyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cyclopentyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: CC(C)C12COC(OC1)(OC2)C3CCCC3
Structure:
CAS RN: 97720-34-8
CAS Name: 4-cyclobutyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cyclobutyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cyclobutyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cyclobutyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C12H20O3
MOLECULAR WEIGHT: 212.2854
SMILES: CC(C)C12COC(OC1)(OC2)C3CCC3
Structure:
CAS RN: 97720-33-7
CAS Name: 4-cyclopropyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-cyclopropyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-cyclopropyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-cyclopropyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CC(C)C12COC(OC1)(OC2)C3CC3
Structure:
CAS RN: 97720-32-6
CAS Name: 4-hexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-hexyl-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-hexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-hexyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: CCCCCCC12OCC(CO1)(CO2)C(C)C
Structure:
CAS RN: 97720-31-5
CAS Name: 4-(2,2-dimethylpropyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(2,2-dimethylpropyl)-1-isopropyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(2,2-dimethylpropyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(2,2-dimethylpropyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C13H24O3
MOLECULAR WEIGHT: 228.32786
SMILES: CC(C)C12COC(OC1)(OC2)CC(C)(C)C
Structure:
CAS RN: 97720-30-4
CAS Name: 1-tert-butyl-4-pentyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-tert-butyl-4-pentyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-tert-butyl-4-pentyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-pentyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H26O3
MOLECULAR WEIGHT: 242.35444
SMILES: CCCCCC12OCC(CO1)(CO2)C(C)(C)C
Structure:
CAS RN: 97720-29-1
CAS Name: 4-butan-2-yl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-isopropyl-4-sec-butyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-butan-2-yl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-butan-2-yl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: CCC(C)C12OCC(CO1)(CO2)C(C)C
Structure:
CAS RN: 97720-28-0
CAS Name: 4-(4-fluorophenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-fluorophenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-fluorophenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-fluorophenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C17H15FO3
MOLECULAR WEIGHT: 286.297603
SMILES: C1C2(COC(O1)(OC2)C3=CC=C(C=C3)F)C4=CC=CC=C4
Structure:
CAS RN: 97720-27-9
CAS Name: 1-tert-butyl-4-(2,3,4,5,6-pentafluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-tert-butyl-4-(2,3,4,5,6-pentafluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-tert-butyl-4-(2,3,4,5,6-pentafluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-tert-butyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C15H15F5O3
MOLECULAR WEIGHT: 338.269816
SMILES: CC(C)(C)C12COC(OC1)(OC2)C3=C(C(=C(C(=C3F)F)F)F)F
Structure:
CAS RN: 97720-26-8
CAS Name: 4-(2,3,4,5,6-pentafluorophenyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-isopropyl-4-(2,3,4,5,6-pentafluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(2,3,4,5,6-pentafluorophenyl)-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H13F5O3
MOLECULAR WEIGHT: 324.243236
SMILES: CC(C)C12COC(OC1)(OC2)C3=C(C(=C(C(=C3F)F)F)F)F
Structure:
CAS RN: 97720-25-7
CAS Name: 5-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-1,3-benzodioxole
OPENEYE Name: 5-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-1,3-benzodioxole
IUPAC Name: 5-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-1,3-benzodioxole
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: CCCC12COC(OC1)(OC2)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 97720-24-6
CAS Name: 4-(4-chloro-3-nitrophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 4-(4-chloro-3-nitro-phenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 4-(4-chloro-3-nitrophenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-(4-chloranyl-3-nitro-phenyl)-1-propyl-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C14H16ClNO5
MOLECULAR WEIGHT: 313.73354
SMILES: CCCC12COC(OC1)(OC2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 97720-23-5
CAS Name: 1-cyclohexyl-4-(3,4-dichlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
OPENEYE Name: 1-cyclohexyl-4-(3,4-dichlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
IUPAC Name: 1-cyclohexyl-4-(3,4-dichlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-cyclohexyl-4-(3,4-dichlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
MOLECULAR FORMULA: C17H20Cl2O3
MOLECULAR WEIGHT: 343.2449
SMILES: C1CCC(CC1)C23COC(OC2)(OC3)C4=CC(=C(C=C4)Cl)Cl
Structure:
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