CAS RN: 5824-85-1
CAS Name: 1,1-dimethyl-2-propan-2-ylhydrazine
OPENEYE Name: 2-isopropyl-1,1-dimethyl-hydrazine
IUPAC Name: 1,1-dimethyl-2-propan-2-ylhydrazine
SYSTEMATIC NAME: 1,1-dimethyl-2-propan-2-yl-diazane
MOLECULAR FORMULA: C5H14N2
MOLECULAR WEIGHT: 102.17806
SMILES: CC(C)NN(C)C
Structure:
CAS RN: 5824-40-8
CAS Name: triphenylmethanamine
OPENEYE Name: triphenylmethanamine
IUPAC Name: triphenylmethanamine
SYSTEMATIC NAME: triphenylmethanamine
MOLECULAR FORMULA: C19H17N
MOLECULAR WEIGHT: 259.34498
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N
Structure:
CAS RN: 5821-57-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1CC2CC1C3=C2C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 5814-06-2
CAS Name: 2,4-dichlorobenzohydrazide
OPENEYE Name: 2,4-dichlorobenzohydrazide
IUPAC Name: 2,4-dichlorobenzohydrazide
SYSTEMATIC NAME: 2,4-bis(chloranyl)benzohydrazide
MOLECULAR FORMULA: C7H6Cl2N2O
MOLECULAR WEIGHT: 205.04134
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)NN
Structure:
CAS RN: 5813-48-9
CAS Name: thiohypochlorous acid methyl ester
OPENEYE Name: methyl thiohypochlorite
IUPAC Name: methyl thiohypochlorite
SYSTEMATIC NAME: methyl thiohypochlorite
MOLECULAR FORMULA: CH3ClS
MOLECULAR WEIGHT: 82.55252
SMILES: CSCl
Structure:
CAS RN: 5810-82-2
CAS Name: 5-bromobicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-bromobicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-bromobicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-bromanylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H9Br
MOLECULAR WEIGHT: 173.05036
SMILES: C1C2CC(C1C=C2)Br
Structure:
CAS RN: 5889-54-3
CAS Name: 5-bromobicyclo[2.2.1]hept-2-ene
OPENEYE Name: 5-bromobicyclo[2.2.1]hept-2-ene
IUPAC Name: 5-bromobicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-bromanylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C7H9Br
MOLECULAR WEIGHT: 173.05036
SMILES: C1C2CC(C1C=C2)Br
Structure:
CAS RN: 5809-54-1
CAS Name: but-1-en-2-ylcyclopropane
OPENEYE Name: 1-methylenepropylcyclopropane
IUPAC Name: but-1-en-2-ylcyclopropane
SYSTEMATIC NAME: but-1-en-2-ylcyclopropane
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CCC(=C)C1CC1
Structure:
CAS RN: 5807-64-7
CAS Name: 2-(2-methoxycarbonylphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 2-(2-methoxycarbonylphenyl)benzoate
IUPAC Name: methyl 2-(2-methoxycarbonylphenyl)benzoate
SYSTEMATIC NAME: methyl 2-(2-methoxycarbonylphenyl)benzoate
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)OC
Structure:
CAS RN: 5806-90-6
CAS Name: N-methoxyacetamide
OPENEYE Name: N-methoxyacetamide
IUPAC Name: N-methoxyacetamide
SYSTEMATIC NAME: N-methoxyethanamide
MOLECULAR FORMULA: C3H7NO2
MOLECULAR WEIGHT: 89.09318
SMILES: CC(=O)NOC
Structure:
CAS RN: 5770-97-8
CAS Name: 3-methyl-5-phenyl-1,3,4-thiadiazole-2-thione
OPENEYE Name: 3-methyl-5-phenyl-1,3,4-thiadiazole-2-thione
IUPAC Name: 3-methyl-5-phenyl-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 3-methyl-5-phenyl-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C9H8N2S2
MOLECULAR WEIGHT: 208.30322
SMILES: CN1C(=S)SC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 5770-58-1
CAS Name: 3-phenyl-1,4-benzodioxin
OPENEYE Name: 3-phenyl-1,4-benzodioxine
IUPAC Name: 3-phenyl-1,4-benzodioxine
SYSTEMATIC NAME: 3-phenyl-1,4-benzodioxine
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)C2=COC3=CC=CC=C3O2
Structure:
CAS RN: 5769-15-3
CAS Name: 4-chloro-N-(oxomethylidene)benzenesulfonamide
OPENEYE Name: 4-chloro-N-(oxomethylene)benzenesulfonamide
IUPAC Name: 4-chloro-N-(oxomethylidene)benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(oxidanylidenemethylidene)benzenesulfonamide
MOLECULAR FORMULA: C7H4ClNO3S
MOLECULAR WEIGHT: 217.62956
SMILES: C1=CC(=CC=C1S(=O)(=O)N=C=O)Cl
Structure:
CAS RN: 5769-11-9
CAS Name: N-cyclohexyl-N-phenylacetamide
OPENEYE Name: N-cyclohexyl-N-phenyl-acetamide
IUPAC Name: N-cyclohexyl-N-phenylacetamide
SYSTEMATIC NAME: N-cyclohexyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CC(=O)N(C1CCCCC1)C2=CC=CC=C2
Structure:
CAS RN: 5761-16-0
CAS Name: 5-(4-chlorophenyl)-3-dithiolethione
OPENEYE Name: 5-(4-chlorophenyl)dithiole-3-thione
IUPAC Name: 5-(4-chlorophenyl)dithiole-3-thione
SYSTEMATIC NAME: 5-(4-chlorophenyl)-1,2-dithiole-3-thione
MOLECULAR FORMULA: C9H5ClS3
MOLECULAR WEIGHT: 244.784
SMILES: C1=CC(=CC=C1C2=CC(=S)SS2)Cl
Structure:
CAS RN: 5756-67-2
CAS Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C11H5F7N2O
MOLECULAR WEIGHT: 314.159022
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 5756-55-8
CAS Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecakis(fluoranyl)heptyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C15H5F15N2O
MOLECULAR WEIGHT: 514.189048
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 5756-37-6
CAS Name: 1-propan-2-yloxypentane
OPENEYE Name: 1-isopropoxypentane
IUPAC Name: 1-propan-2-yloxypentane
SYSTEMATIC NAME: 1-propan-2-yloxypentane
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCCOC(C)C
Structure:
CAS RN: 5754-90-5
CAS Name: 1,3-dinitro-1,3-diazepane
OPENEYE Name: 1,3-dinitro-1,3-diazepane
IUPAC Name: 1,3-dinitro-1,3-diazepane
SYSTEMATIC NAME: 1,3-dinitro-1,3-diazepane
MOLECULAR FORMULA: C5H10N4O4
MOLECULAR WEIGHT: 190.1573
SMILES: C1CCN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5754-89-2
CAS Name: 1,3-dinitro-1,3-diazinane
OPENEYE Name: 1,3-dinitrohexahydropyrimidine
IUPAC Name: 1,3-dinitro-1,3-diazinane
SYSTEMATIC NAME: 1,3-dinitro-1,3-diazinane
MOLECULAR FORMULA: C4H8N4O4
MOLECULAR WEIGHT: 176.13072
SMILES: C1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5750-02-7
CAS Name: butan-2-ylcyclopropane
OPENEYE Name: sec-butylcyclopropane
IUPAC Name: butan-2-ylcyclopropane
SYSTEMATIC NAME: butan-2-ylcyclopropane
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC(C)C1CC1
Structure:
CAS RN: 5749-72-4
CAS Name: propan-2-ylidenecyclohexane
OPENEYE Name: isopropylidenecyclohexane
IUPAC Name: propan-2-ylidenecyclohexane
SYSTEMATIC NAME: propan-2-ylidenecyclohexane
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC(=C1CCCCC1)C
Structure:
CAS RN: 5744-51-4
CAS Name: 1,5-dimethyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1,5-dimethylpyrazole-3-carboxylate
IUPAC Name: ethyl 1,5-dimethylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1,5-dimethylpyrazole-3-carboxylate
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CCOC(=O)C1=NN(C(=C1)C)C
Structure:
CAS RN: 5744-40-1
CAS Name: 2,5-dimethyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2,5-dimethylpyrazole-3-carboxylate
IUPAC Name: ethyl 2,5-dimethylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,5-dimethylpyrazole-3-carboxylate
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CCOC(=O)C1=CC(=NN1C)C
Structure:
CAS RN: 5729-59-9
CAS Name: ethoxymethoxymethoxymethoxymethoxyethane
OPENEYE Name: ethoxymethoxymethoxymethoxymethoxyethane
IUPAC Name: ethoxymethoxymethoxymethoxymethoxyethane
SYSTEMATIC NAME: ethoxymethoxymethoxymethoxymethoxyethane
MOLECULAR FORMULA: C8H18O5
MOLECULAR WEIGHT: 194.22552
SMILES: CCOCOCOCOCOCC
Structure:
CAS RN: 5723-93-3
CAS Name: 1,3-ditert-butyl-5-phenylbenzene
OPENEYE Name: 1,3-ditert-butyl-5-phenyl-benzene
IUPAC Name: 1,3-ditert-butyl-5-phenylbenzene
SYSTEMATIC NAME: 1,3-ditert-butyl-5-phenyl-benzene
MOLECULAR FORMULA: C20H26
MOLECULAR WEIGHT: 266.42044
SMILES: CC(C)(C)C1=CC(=CC(=C1)C2=CC=CC=C2)C(C)(C)C
Structure:
CAS RN: 5709-94-4
CAS Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaborolidine
OPENEYE Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaborolidine
IUPAC Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaborolidine
SYSTEMATIC NAME: 1,3-dimethyl-2-phenyl-1,3,2-diazaborolidine
MOLECULAR FORMULA: C10H15BN2
MOLECULAR WEIGHT: 174.0505
SMILES: B1(N(CCN1C)C)C2=CC=CC=C2
Structure:
CAS RN: 5698-59-9
CAS Name: 2-benzothiophene-1,3-dione
OPENEYE Name: 2-benzothiophene-1,3-dione
IUPAC Name: 2-benzothiophene-1,3-dione
SYSTEMATIC NAME: 2-benzothiophene-1,3-dione
MOLECULAR FORMULA: C8H4O2S
MOLECULAR WEIGHT: 164.18116
SMILES: C1=CC=C2C(=C1)C(=O)SC2=O
Structure:
CAS RN: 5698-29-3
CAS Name: 2-oxonanone
OPENEYE Name: oxonan-2-one
IUPAC Name: oxonan-2-one
SYSTEMATIC NAME: oxonan-2-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CCCC(=O)OCCC1
Structure:
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