CAS RN: 6323-82-6
CAS Name: N,N-diethyl-2-butyn-1-amine
OPENEYE Name: N,N-diethylbut-2-yn-1-amine
IUPAC Name: N,N-diethylbut-2-yn-1-amine
SYSTEMATIC NAME: N,N-diethylbut-2-yn-1-amine
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: CCN(CC)CC#CC
Structure:
CAS RN: 6323-79-1
CAS Name: N-propyl-N-prop-2-ynyl-1-propanamine
OPENEYE Name: N-propyl-N-prop-2-ynyl-propan-1-amine
IUPAC Name: N-propyl-N-prop-2-ynylpropan-1-amine
SYSTEMATIC NAME: N-propyl-N-prop-2-ynyl-propan-1-amine
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CCCN(CCC)CC#C
Structure:
CAS RN: 6322-56-1
CAS Name: 1-(4-hydroxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(4-hydroxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(4-hydroxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-nitro-4-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
Structure:
CAS RN: 6310-99-2
CAS Name: 2,5-dibromo-1,3-dinitrobenzene
OPENEYE Name: 2,5-dibromo-1,3-dinitro-benzene
IUPAC Name: 2,5-dibromo-1,3-dinitrobenzene
SYSTEMATIC NAME: 2,5-bis(bromanyl)-1,3-dinitro-benzene
MOLECULAR FORMULA: C6H2Br2N2O4
MOLECULAR WEIGHT: 325.89908
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Br)[N+](=O)[O-])Br
Structure:
CAS RN: 6310-76-5
CAS Name: 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]-2-pentanone
OPENEYE Name: 4-[2-[(1-methyl-3-oxo-butylidene)amino]ethylimino]pentan-2-one
IUPAC Name: 4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one
SYSTEMATIC NAME: 4-[2-(4-oxidanylidenepentan-2-ylideneamino)ethylimino]pentan-2-one
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CC(=NCCN=C(C)CC(=O)C)CC(=O)C
Structure:
CAS RN: 6304-34-3
CAS Name: 2,2,2-trichloroacetic acid prop-2-enyl ester
OPENEYE Name: allyl 2,2,2-trichloroacetate
IUPAC Name: prop-2-enyl 2,2,2-trichloroacetate
SYSTEMATIC NAME: prop-2-enyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C5H5Cl3O2
MOLECULAR WEIGHT: 203.451
SMILES: C=CCOC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 6303-88-4
CAS Name: 9-methyl-1,2,3,4-tetrahydrocarbazole
OPENEYE Name: 9-methyl-1,2,3,4-tetrahydrocarbazole
IUPAC Name: 9-methyl-1,2,3,4-tetrahydrocarbazole
SYSTEMATIC NAME: 9-methyl-1,2,3,4-tetrahydrocarbazole
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CN1C2=C(CCCC2)C3=CC=CC=C31
Structure:
CAS RN: 6292-20-2
CAS Name: 4-butan-2-yl-1-cyclohexanol
OPENEYE Name: 4-sec-butylcyclohexanol
IUPAC Name: 4-butan-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: 4-butan-2-ylcyclohexan-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCC(C)C1CCC(CC1)O
Structure:
CAS RN: 6291-06-1
CAS Name: N-(hydroxymethyl)-2-phenylacetamide
OPENEYE Name: N-(hydroxymethyl)-2-phenyl-acetamide
IUPAC Name: N-(hydroxymethyl)-2-phenylacetamide
SYSTEMATIC NAME: N-(hydroxymethyl)-2-phenyl-ethanamide
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1=CC=C(C=C1)CC(=O)NCO
Structure:
CAS RN: 6285-54-7
CAS Name: 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CCOC(=O)C1=C(C(=C(N1)C)CC2=C(NC(=C2C)C(=O)OCC)C)C
Structure:
CAS RN: 6284-98-6
CAS Name: 1-(2-methylbutan-2-yl)-4-nitrobenzene
OPENEYE Name: 1-(1,1-dimethylpropyl)-4-nitro-benzene
IUPAC Name: 1-(2-methylbutan-2-yl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(2-methylbutan-2-yl)-4-nitro-benzene
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 6280-33-7
CAS Name: N,N-bis(prop-2-enyl)-2H-tetrazol-5-amine
OPENEYE Name: N,N-diallyl-2H-tetrazol-5-amine
IUPAC Name: N,N-bis(prop-2-enyl)-2H-tetrazol-5-amine
SYSTEMATIC NAME: N,N-bis(prop-2-enyl)-2H-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C7H11N5
MOLECULAR WEIGHT: 165.19574
SMILES: C=CCN(CC=C)C1=NNN=N1
Structure:
CAS RN: 6267-39-6
CAS Name: 3-ethoxy-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-ethoxy-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-ethoxy-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-ethoxy-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CCOC1=CC(=O)CC(C1)(C)C
Structure:
CAS RN: 6263-84-9
CAS Name: 1,3,5-triphenylpentane-1,5-dione
OPENEYE Name: 1,3,5-triphenylpentane-1,5-dione
IUPAC Name: 1,3,5-triphenylpentane-1,5-dione
SYSTEMATIC NAME: 1,3,5-triphenylpentane-1,5-dione
MOLECULAR FORMULA: C23H20O2
MOLECULAR WEIGHT: 328.4037
SMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3
Structure:
CAS RN: 6263-74-7
CAS Name: 1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane
OPENEYE Name: 1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane
IUPAC Name: 1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane
SYSTEMATIC NAME: 1,1,1-trinitro-2-(2,2,2-trinitroethoxymethoxy)ethane
MOLECULAR FORMULA: C5H6N6O14
MOLECULAR WEIGHT: 374.13294
SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCOCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6257-51-8
CAS Name: 2,6-dimethylheptane-2,6-diol
OPENEYE Name: 2,6-dimethylheptane-2,6-diol
IUPAC Name: 2,6-dimethylheptane-2,6-diol
SYSTEMATIC NAME: 2,6-dimethylheptane-2,6-diol
MOLECULAR FORMULA: C9H20O2
MOLECULAR WEIGHT: 160.2539
SMILES: CC(C)(CCCC(C)(C)O)O
Structure:
CAS RN: 6255-58-9
CAS Name: 1,3,2$l^{4}-benzodioxathiole 2-oxide
OPENEYE Name: 1,3,2$l^{4}-benzodioxathiole 2-oxide
IUPAC Name: 1,3,2$l^{4}-benzodioxathiole 2-oxide
SYSTEMATIC NAME: 1,3,2$l^{4}-benzodioxathiole 2-oxide
MOLECULAR FORMULA: C6H4O3S
MOLECULAR WEIGHT: 156.15916
SMILES: C1=CC=C2C(=C1)OS(=O)O2
Structure:
CAS RN: 6251-01-0
CAS Name: 2-[6-(dicyanomethylidene)-2-naphthalenylidene]propanedinitrile
OPENEYE Name: 2-[6-(dicyanomethylene)-2-naphthylidene]propanedinitrile
IUPAC Name: 2-[6-(dicyanomethylidene)naphthalen-2-ylidene]propanedinitrile
SYSTEMATIC NAME: 2-[6-(dicyanomethylidene)naphthalen-2-ylidene]propanedinitrile
MOLECULAR FORMULA: C16H6N4
MOLECULAR WEIGHT: 254.24564
SMILES: C1=CC(=C(C#N)C#N)C=C2C1=CC(=C(C#N)C#N)C=C2
Structure:
CAS RN: 6250-80-2
CAS Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
OPENEYE Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
IUPAC Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CCC1=C(NC(=C1C)C=O)C
Structure:
CAS RN: 6249-76-9
CAS Name: N,N-dipentylaniline
OPENEYE Name: N,N-dipentylaniline
IUPAC Name: N,N-dipentylaniline
SYSTEMATIC NAME: N,N-dipentylaniline
MOLECULAR FORMULA: C16H27N
MOLECULAR WEIGHT: 233.39228
SMILES: CCCCCN(CCCCC)C1=CC=CC=C1
Structure:
CAS RN: 6248-88-0
CAS Name: 2,2,4-trimethylbicyclo[2.2.1]heptane
OPENEYE Name: 1,3,3-trimethylnorbornane
IUPAC Name: 2,2,4-trimethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,2,4-trimethylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC1(CC2(CCC1C2)C)C
Structure:
CAS RN: 6247-55-8
CAS Name: 2,3-dihydro-1,4-benzodithiin
OPENEYE Name: 2,3-dihydro-1,4-benzodithiine
IUPAC Name: 2,3-dihydro-1,4-benzodithiine
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodithiine
MOLECULAR FORMULA: C8H8S2
MOLECULAR WEIGHT: 168.27912
SMILES: C1CSC2=CC=CC=C2S1
Structure:
CAS RN: 6244-05-9
CAS Name: 2,2-dimethyl-3-methylene-4-nitrobicyclo[2.2.1]heptane
OPENEYE Name: 3,3-dimethyl-2-methylene-1-nitro-norbornane
IUPAC Name: 2,2-dimethyl-3-methylidene-4-nitrobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,2-dimethyl-3-methylidene-4-nitro-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC1(C2CCC(C2)(C1=C)[N+](=O)[O-])C
Structure:
CAS RN: 6238-65-9
CAS Name: (2-fluorophenyl)-(2-pyridinyl)methanone
OPENEYE Name: (2-fluorophenyl)-(2-pyridyl)methanone
IUPAC Name: (2-fluorophenyl)-pyridin-2-ylmethanone
SYSTEMATIC NAME: (2-fluorophenyl)-pyridin-2-yl-methanone
MOLECULAR FORMULA: C12H8FNO
MOLECULAR WEIGHT: 201.196423
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=N2)F
Structure:
CAS RN: 6237-59-8
CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexamethyl ester
OPENEYE Name: hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
IUPAC Name: hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
SYSTEMATIC NAME: hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
MOLECULAR FORMULA: C18H18O12
MOLECULAR WEIGHT: 426.32832
SMILES: COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 6236-71-1
CAS Name: bicyclo[2.2.1]heptane-2,3-dione
OPENEYE Name: norbornane-2,3-dione
IUPAC Name: bicyclo[2.2.1]heptane-2,3-dione
SYSTEMATIC NAME: bicyclo[2.2.1]heptane-2,3-dione
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: C1CC2CC1C(=O)C2=O
Structure:
CAS RN: 6231-76-1
CAS Name: trimethyl(2-trimethylsilylethyl)silane
OPENEYE Name: trimethyl(2-trimethylsilylethyl)silane
IUPAC Name: trimethyl(2-trimethylsilylethyl)silane
SYSTEMATIC NAME: trimethyl(2-trimethylsilylethyl)silane
MOLECULAR FORMULA: C8H22Si2
MOLECULAR WEIGHT: 174.43128
SMILES: C[Si](C)(C)CC[Si](C)(C)C
Structure:
CAS RN: 6225-08-7
CAS Name: N,N-dimethylnonanamide
OPENEYE Name: N,N-dimethylnonanamide
IUPAC Name: N,N-dimethylnonanamide
SYSTEMATIC NAME: N,N-dimethylnonanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCCCCCCCC(=O)N(C)C
Structure:
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