CAS RN: 19985-79-6
CAS Name: 2,3-ditert-butyl-1-cycloprop-2-enone
OPENEYE Name: 2,3-ditert-butylcycloprop-2-en-1-one
IUPAC Name: 2,3-ditert-butylcycloprop-2-en-1-one
SYSTEMATIC NAME: 2,3-ditert-butylcycloprop-2-en-1-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(C)(C)C1=C(C1=O)C(C)(C)C
Structure:
CAS RN: 19962-23-3
CAS Name: 1-methoxy-3-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-3-methoxy-benzene
IUPAC Name: 1-methoxy-3-phenylmethoxybenzene
SYSTEMATIC NAME: 1-methoxy-3-phenylmethoxy-benzene
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: COC1=CC(=CC=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 19961-29-6
CAS Name: bromoborane
OPENEYE Name: bromoborane
IUPAC Name: bromoborane
SYSTEMATIC NAME: bromanylborane
MOLECULAR FORMULA: BBrH2
MOLECULAR WEIGHT: 92.73088
SMILES: BBr
Structure:
CAS RN: 19956-97-9
CAS Name: 2,2,6-trimethyl-3H-benzofuran
OPENEYE Name: 2,2,6-trimethyl-3H-benzofuran
IUPAC Name: 2,2,6-trimethyl-3H-1-benzofuran
SYSTEMATIC NAME: 2,2,6-trimethyl-3H-1-benzofuran
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC2=C(CC(O2)(C)C)C=C1
Structure:
CAS RN: 19918-17-3
CAS Name: 5-tert-butyl-3H-furan-2-one
OPENEYE Name: 5-tert-butyl-3H-furan-2-one
IUPAC Name: 5-tert-butyl-3H-furan-2-one
SYSTEMATIC NAME: 5-tert-butyl-3H-furan-2-one
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC(C)(C)C1=CCC(=O)O1
Structure:
CAS RN: 19915-11-8
CAS Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
OPENEYE Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
IUPAC Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SYSTEMATIC NAME: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: C1CC2CCC(=O)C2C1
Structure:
CAS RN: 29365-79-5
CAS Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
OPENEYE Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
IUPAC Name: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SYSTEMATIC NAME: 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: C1CC2CCC(=O)C2C1
Structure:
CAS RN: 19910-30-6
CAS Name: 2,3,3-trimethylbutanoic acid methyl ester
OPENEYE Name: methyl 2,3,3-trimethylbutanoate
IUPAC Name: methyl 2,3,3-trimethylbutanoate
SYSTEMATIC NAME: methyl 2,3,3-trimethylbutanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C(=O)OC)C(C)(C)C
Structure:
CAS RN: 19909-70-7
CAS Name: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
OPENEYE Name: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
IUPAC Name: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
SYSTEMATIC NAME: 2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC(C)(C)C(=O)C(=O)C(=O)C(=O)C(C)(C)C
Structure:
CAS RN: 19909-65-0
CAS Name: 1,4-bis(2,4,6-trimethylphenyl)butane-1,2,3,4-tetrone
OPENEYE Name: 1,4-bis(2,4,6-trimethylphenyl)butane-1,2,3,4-tetrone
IUPAC Name: 1,4-bis(2,4,6-trimethylphenyl)butane-1,2,3,4-tetrone
SYSTEMATIC NAME: 1,4-bis(2,4,6-trimethylphenyl)butane-1,2,3,4-tetrone
MOLECULAR FORMULA: C22H22O4
MOLECULAR WEIGHT: 350.40768
SMILES: CC1=CC(=C(C(=C1)C)C(=O)C(=O)C(=O)C(=O)C2=C(C=C(C=C2C)C)C)C
Structure:
CAS RN: 19909-64-9
CAS Name: 1,4-bis(4-methylphenyl)butane-1,2,3,4-tetrone
OPENEYE Name: 1,4-bis(p-tolyl)butane-1,2,3,4-tetrone
IUPAC Name: 1,4-bis(4-methylphenyl)butane-1,2,3,4-tetrone
SYSTEMATIC NAME: 1,4-bis(4-methylphenyl)butane-1,2,3,4-tetrone
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: CC1=CC=C(C=C1)C(=O)C(=O)C(=O)C(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 19909-44-5
CAS Name: 1,4-diphenylbutane-1,2,3,4-tetrone
OPENEYE Name: 1,4-diphenylbutane-1,2,3,4-tetrone
IUPAC Name: 1,4-diphenylbutane-1,2,3,4-tetrone
SYSTEMATIC NAME: 1,4-diphenylbutane-1,2,3,4-tetrone
MOLECULAR FORMULA: C16H10O4
MOLECULAR WEIGHT: 266.2482
SMILES: C1=CC=C(C=C1)C(=O)C(=O)C(=O)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 19901-15-6
CAS Name: 2,2,2-trideuterioacetaldehyde
OPENEYE Name: 2,2,2-trideuterioacetaldehyde
IUPAC Name: 2,2,2-trideuterioacetaldehyde
SYSTEMATIC NAME: 2,2,2-trideuterioethanal
MOLECULAR FORMULA: C2H4O
MOLECULAR WEIGHT: 47.071045
SMILES: [2H]C([2H])([2H])C=O
Structure:
CAS RN: 19900-84-6
CAS Name: isothiocyanato(methoxy)methane
OPENEYE Name: isothiocyanato(methoxy)methane
IUPAC Name: isothiocyanato(methoxy)methane
SYSTEMATIC NAME: isothiocyanato(methoxy)methane
MOLECULAR FORMULA: C3H5NOS
MOLECULAR WEIGHT: 103.1429
SMILES: COCN=C=S
Structure:
CAS RN: 19889-77-1
CAS Name: 2-piperidinecarboxamide
OPENEYE Name: piperidine-2-carboxamide
IUPAC Name: piperidine-2-carboxamide
SYSTEMATIC NAME: piperidine-2-carboxamide
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: C1CCNC(C1)C(=O)N
Structure:
CAS RN: 19872-93-6
CAS Name: 4-methoxypyridine-2,6-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-methoxypyridine-2,6-dicarboxylate
IUPAC Name: dimethyl 4-methoxypyridine-2,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-methoxypyridine-2,6-dicarboxylate
MOLECULAR FORMULA: C10H11NO5
MOLECULAR WEIGHT: 225.19804
SMILES: COC1=CC(=NC(=C1)C(=O)OC)C(=O)OC
Structure:
CAS RN: 19869-78-4
CAS Name: 1-bromo-2-fluoro-2-methylpropane
OPENEYE Name: 1-bromo-2-fluoro-2-methyl-propane
IUPAC Name: 1-bromo-2-fluoro-2-methylpropane
SYSTEMATIC NAME: 1-bromanyl-2-fluoranyl-2-methyl-propane
MOLECULAR FORMULA: C4H8BrF
MOLECULAR WEIGHT: 155.008723
SMILES: CC(C)(CBr)F
Structure:
CAS RN: 19846-06-1
CAS Name: 2-phenyl-2-propylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-phenyl-2-propyl-propanedioate
IUPAC Name: diethyl 2-phenyl-2-propylpropanedioate
SYSTEMATIC NAME: diethyl 2-phenyl-2-propyl-propanedioate
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CCCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 19841-74-8
CAS Name: 1-ethylcyclohexa-1,4-diene
OPENEYE Name: 1-ethylcyclohexa-1,4-diene
IUPAC Name: 1-ethylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1-ethylcyclohexa-1,4-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CCC1=CCC=CC1
Structure:
CAS RN: 19841-72-6
CAS Name: 2,2-dimethyl-3-octanol
OPENEYE Name: 2,2-dimethyloctan-3-ol
IUPAC Name: 2,2-dimethyloctan-3-ol
SYSTEMATIC NAME: 2,2-dimethyloctan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCC(C(C)(C)C)O
Structure:
CAS RN: 19836-28-3
CAS Name: N,N-bis(2,2,2-trinitroethyl)nitramide
OPENEYE Name: N,N-bis(2,2,2-trinitroethyl)nitramide
IUPAC Name: N,N-bis(2,2,2-trinitroethyl)nitramide
SYSTEMATIC NAME: N,N-bis(2,2,2-trinitroethyl)nitramide
MOLECULAR FORMULA: C4H4N8O14
MOLECULAR WEIGHT: 388.11976
SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])N(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 19832-87-2
CAS Name: 2-chloro-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-chloro-5-methyl-1,4-benzoquinone
IUPAC Name: 2-chloro-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H5ClO2
MOLECULAR WEIGHT: 156.5664
SMILES: CC1=CC(=O)C(=CC1=O)Cl
Structure:
CAS RN: 19824-59-0
CAS Name: dimethylazanide; tantalum(5+)
OPENEYE Name: dimethylazanide; tantalum(5+)
IUPAC Name: dimethylazanide; tantalum(5+)
SYSTEMATIC NAME: dimethylazanide; tantalum(5+)
MOLECULAR FORMULA: C10H30N5Ta
MOLECULAR WEIGHT: 401.3266
SMILES: C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Ta+5]
Structure:
CAS RN: 19824-58-9
CAS Name: dimethylazanide; niobium(5+)
OPENEYE Name: dimethylazanide; niobium(5+)
IUPAC Name: dimethylazanide; niobium(5+)
SYSTEMATIC NAME: dimethylazanide; niobium(5+)
MOLECULAR FORMULA: C10H30N5Nb
MOLECULAR WEIGHT: 313.28508
SMILES: C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Nb+5]
Structure:
CAS RN: 19824-55-6
CAS Name: diethylazanide; hafnium(4+)
OPENEYE Name: diethylazanide; hafnium(4+)
IUPAC Name: diethylazanide; hafnium(4+)
SYSTEMATIC NAME: diethylazanide; hafnium(4+)
MOLECULAR FORMULA: C16H40HfN4
MOLECULAR WEIGHT: 467.0056
SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Hf+4]
Structure:
CAS RN: 19816-73-0
CAS Name: tetradecaneperoxoic acid
OPENEYE Name: tetradecaneperoxoic acid
IUPAC Name: tetradecaneperoxoic acid
SYSTEMATIC NAME: tetradecaneperoxoic acid
MOLECULAR FORMULA: C14H28O3
MOLECULAR WEIGHT: 244.37032
SMILES: CCCCCCCCCCCCCC(=O)OO
Structure:
CAS RN: 19812-93-2
CAS Name: 4-(4-hydroxyphenyl)benzonitrile
OPENEYE Name: 4-(4-hydroxyphenyl)benzonitrile
IUPAC Name: 4-(4-hydroxyphenyl)benzonitrile
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)benzenecarbonitrile
MOLECULAR FORMULA: C13H9NO
MOLECULAR WEIGHT: 195.21666
SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)O
Structure:
CAS RN: 19782-68-4
CAS Name: dimethylazanide; hafnium(4+)
OPENEYE Name: dimethylazanide; hafnium(4+)
IUPAC Name: dimethylazanide; hafnium(4+)
SYSTEMATIC NAME: dimethylazanide; hafnium(4+)
MOLECULAR FORMULA: C8H24HfN4
MOLECULAR WEIGHT: 354.79296
SMILES: C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
Structure:
CAS RN: 19781-77-2
CAS Name: 6-hepten-3-ol
OPENEYE Name: hept-6-en-3-ol
IUPAC Name: hept-6-en-3-ol
SYSTEMATIC NAME: hept-6-en-3-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(CCC=C)O
Structure:
CAS RN: 19781-68-1
CAS Name: 1-ethyl-2-methylcyclopropane
OPENEYE Name: 1-ethyl-2-methyl-cyclopropane
IUPAC Name: 1-ethyl-2-methylcyclopropane
SYSTEMATIC NAME: 1-ethyl-2-methyl-cyclopropane
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC1CC1C
Structure:
CAS RN: 19781-54-5
CAS Name: 2,4-dimethyl-1-penten-3-ol
OPENEYE Name: 2,4-dimethylpent-1-en-3-ol
IUPAC Name: 2,4-dimethylpent-1-en-3-ol
SYSTEMATIC NAME: 2,4-dimethylpent-1-en-3-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)C(C(=C)C)O
Structure:
CAS RN: 19781-53-4
CAS Name: 2,4-dimethyl-4-penten-2-ol
OPENEYE Name: 2,4-dimethylpent-4-en-2-ol
IUPAC Name: 2,4-dimethylpent-4-en-2-ol
SYSTEMATIC NAME: 2,4-dimethylpent-4-en-2-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(=C)CC(C)(C)O
Structure:
CAS RN: 19781-47-6
CAS Name: 1,3-dimethyl-2-methylenecyclohexane
OPENEYE Name: 1,3-dimethyl-2-methylene-cyclohexane
IUPAC Name: 1,3-dimethyl-2-methylidenecyclohexane
SYSTEMATIC NAME: 1,3-dimethyl-2-methylidene-cyclohexane
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC1CCCC(C1=C)C
Structure:
CAS RN: 20348-74-7
CAS Name: 1,3-dimethyl-2-methylenecyclohexane
OPENEYE Name: 1,3-dimethyl-2-methylene-cyclohexane
IUPAC Name: 1,3-dimethyl-2-methylidenecyclohexane
SYSTEMATIC NAME: 1,3-dimethyl-2-methylidene-cyclohexane
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC1CCCC(C1=C)C
Structure:
CAS RN: 19781-29-4
CAS Name: 3-ethyl-4-octanone
OPENEYE Name: 3-ethyloctan-4-one
IUPAC Name: 3-ethyloctan-4-one
SYSTEMATIC NAME: 3-ethyloctan-4-one
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCC(=O)C(CC)CC
Structure:
CAS RN: 19781-27-2
CAS Name: 6-ethyl-3-octanol
OPENEYE Name: 6-ethyloctan-3-ol
IUPAC Name: 6-ethyloctan-3-ol
SYSTEMATIC NAME: 6-ethyloctan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCC(CC)CCC(CC)O
Structure:
CAS RN: 19781-26-1
CAS Name: 4-ethyl-3-octanol
OPENEYE Name: 4-ethyloctan-3-ol
IUPAC Name: 4-ethyloctan-3-ol
SYSTEMATIC NAME: 4-ethyloctan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCC(CC)C(CC)O
Structure:
CAS RN: 19781-18-1
CAS Name: 2,3-dimethyl-2-octene
OPENEYE Name: 2,3-dimethyloct-2-ene
IUPAC Name: 2,3-dimethyloct-2-ene
SYSTEMATIC NAME: 2,3-dimethyloct-2-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCC(=C(C)C)C
Structure:
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