CAS RN: 1006-67-3
CAS Name: 5-phenylisoxazole
OPENEYE Name: 5-phenylisoxazole
IUPAC Name: 5-phenyl-1,2-oxazole
SYSTEMATIC NAME: 5-phenyl-1,2-oxazole
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C(C=C1)C2=CC=NO2
Structure:
CAS RN: 1204-41-7
CAS Name: 4-(2-methylphenyl)aniline
OPENEYE Name: 4-(o-tolyl)aniline
IUPAC Name: 4-(2-methylphenyl)aniline
SYSTEMATIC NAME: 4-(2-methylphenyl)aniline
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CC1=CC=CC=C1C2=CC=C(C=C2)N
Structure:
CAS RN: 1006-65-1
CAS Name: 3-phenylisoxazole
OPENEYE Name: 3-phenylisoxazole
IUPAC Name: 3-phenyl-1,2-oxazole
SYSTEMATIC NAME: 3-phenyl-1,2-oxazole
MOLECULAR FORMULA: C9H7NO
MOLECULAR WEIGHT: 145.15798
SMILES: C1=CC=C(C=C1)C2=NOC=C2
Structure:
CAS RN: 1005-51-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C1=CC2C3C2C=CC1C=C3
Structure:
CAS RN: 1005-31-8
CAS Name: N,N-dimethyl-1-oxido-4-pyridin-1-iumamine
OPENEYE Name: N,N-dimethyl-1-oxido-pyridin-1-ium-4-amine
IUPAC Name: N,N-dimethyl-1-oxidopyridin-1-ium-4-amine
SYSTEMATIC NAME: N,N-dimethyl-1-oxidanidyl-pyridin-1-ium-4-amine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CN(C)C1=CC=[N+](C=C1)[O-]
Structure:
CAS RN: 1003-84-5
CAS Name: 1,4,4-trimethylpiperidine
OPENEYE Name: 1,4,4-trimethylpiperidine
IUPAC Name: 1,4,4-trimethylpiperidine
SYSTEMATIC NAME: 1,4,4-trimethylpiperidine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CC1(CCN(CC1)C)C
Structure:
CAS RN: 1003-41-4
CAS Name: 4-thiopyranone
OPENEYE Name: thiopyran-4-one
IUPAC Name: thiopyran-4-one
SYSTEMATIC NAME: thiopyran-4-one
MOLECULAR FORMULA: C5H4OS
MOLECULAR WEIGHT: 112.14966
SMILES: C1=CSC=CC1=O
Structure:
CAS RN: 1003-26-5
CAS Name: chloro(1-cyclopenta-2,4-dienyl)mercury
OPENEYE Name: chloro(cyclopenta-2,4-dien-1-yl)mercury
IUPAC Name: chloro(cyclopenta-2,4-dien-1-yl)mercury
SYSTEMATIC NAME: chloranyl(cyclopenta-2,4-dien-1-yl)mercury
MOLECULAR FORMULA: C5H5ClHg
MOLECULAR WEIGHT: 301.1362
SMILES: C1=CC(C=C1)[Hg]Cl
Structure:
CAS RN: 1003-17-4
CAS Name: 2,2-dimethyloxolane
OPENEYE Name: 2,2-dimethyltetrahydrofuran
IUPAC Name: 2,2-dimethyloxolane
SYSTEMATIC NAME: 2,2-dimethyloxolane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC1(CCCO1)C
Structure:
CAS RN: 1320-94-1
CAS Name: 2,2-dimethyloxolane
OPENEYE Name: 2,2-dimethyltetrahydrofuran
IUPAC Name: 2,2-dimethyloxolane
SYSTEMATIC NAME: 2,2-dimethyloxolane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC1(CCCO1)C
Structure:
CAS RN: 1001-56-5
CAS Name: buta-2,3-dienenitrile
OPENEYE Name: buta-2,3-dienenitrile
IUPAC Name: buta-2,3-dienenitrile
SYSTEMATIC NAME: buta-2,3-dienenitrile
MOLECULAR FORMULA: C4H3N
MOLECULAR WEIGHT: 65.07332
SMILES: C=C=CC#N
Structure:
CAS RN: 1000-63-1
CAS Name: 1-[(2-methylpropan-2-yl)oxy]butane
OPENEYE Name: 1-tert-butoxybutane
IUPAC Name: 1-[(2-methylpropan-2-yl)oxy]butane
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxy]butane
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCOC(C)(C)C
Structure:
CAS RN: 999-90-6
CAS Name: ethanethioic acid S-tert-butyl ester
OPENEYE Name: S-tert-butyl ethanethioate
IUPAC Name: S-tert-butyl ethanethioate
SYSTEMATIC NAME: S-tert-butyl ethanethioate
MOLECULAR FORMULA: C6H12OS
MOLECULAR WEIGHT: 132.22388
SMILES: CC(=O)SC(C)(C)C
Structure:
CAS RN: 999-78-0
CAS Name: 4,4-dimethyl-2-pentyne
OPENEYE Name: 4,4-dimethylpent-2-yne
IUPAC Name: 4,4-dimethylpent-2-yne
SYSTEMATIC NAME: 4,4-dimethylpent-2-yne
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC#CC(C)(C)C
Structure:
CAS RN: 997-76-2
CAS Name: ethene-1,1,2-tricarbonitrile
OPENEYE Name: ethene-1,1,2-tricarbonitrile
IUPAC Name: ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C5HN3
MOLECULAR WEIGHT: 103.08154
SMILES: C(=C(C#N)C#N)C#N
Structure:
CAS RN: 997-69-3
CAS Name: 3-butyl-2-heptanone
OPENEYE Name: 3-butylheptan-2-one
IUPAC Name: 3-butylheptan-2-one
SYSTEMATIC NAME: 3-butylheptan-2-one
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CCCCC(CCCC)C(=O)C
Structure:
CAS RN: 997-49-9
CAS Name: tris(methylthio)borane
OPENEYE Name: tris(methylsulfanyl)borane
IUPAC Name: tris(methylsulfanyl)borane
SYSTEMATIC NAME: tris(methylsulfanyl)borane
MOLECULAR FORMULA: C3H9BS3
MOLECULAR WEIGHT: 152.10956
SMILES: B(SC)(SC)SC
Structure:
CAS RN: 997-11-5
CAS Name: N-deuterio-N-ethylethanamine
OPENEYE Name: N-deuterio-N-ethyl-ethanamine
IUPAC Name: N-deuterio-N-ethylethanamine
SYSTEMATIC NAME: N-deuterio-N-ethyl-ethanamine
MOLECULAR FORMULA: C4H11N
MOLECULAR WEIGHT: 74.143002
SMILES: [2H]N(CC)CC
Structure:
CAS RN: 994-21-8
CAS Name: 4,4,5-trimethyl-2-hexyne
OPENEYE Name: 4,4,5-trimethylhex-2-yne
IUPAC Name: 4,4,5-trimethylhex-2-yne
SYSTEMATIC NAME: 4,4,5-trimethylhex-2-yne
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CC#CC(C)(C)C(C)C
Structure:
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