Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 53088-50-9
CAS Name: 3-methyl-2-phenyl-1H-1,3,2-diazaborole
OPENEYE Name: 3-methyl-2-phenyl-1H-1,3,2-diazaborole
IUPAC Name: 3-methyl-2-phenyl-1H-1,3,2-diazaborole
SYSTEMATIC NAME: 3-methyl-2-phenyl-1H-1,3,2-diazaborole
MOLECULAR FORMULA: C9H11BN2
MOLECULAR WEIGHT: 158.00804
SMILES: B1(NC=CN1C)C2=CC=CC=C2
Structure:

CAS RN: 53086-28-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H16
MOLECULAR WEIGHT: 448.51224
SMILES: C1=CC2=C3C(=C1)C4=C5C6=C(C=C4)C7=CC=CC8=C7C9=C6C1=C(C=CC4=C1C5=C3C(=C4)C=C2)C=C9C=C8
Structure:

CAS RN: 53022-70-1
CAS Name: carbanide; oxorhenium
OPENEYE Name: carbanide; oxorhenium
IUPAC Name: carbanide; oxorhenium
SYSTEMATIC NAME: carbanide; oxidanylidenerhenium
MOLECULAR FORMULA: C4H12ORe-4
MOLECULAR WEIGHT: 262.34448
SMILES: [CH3-].[CH3-].[CH3-].[CH3-].O=[Re]
Structure:

CAS RN: 53020-11-4
CAS Name: 4-iodothieno[2,3-b]thiophene
OPENEYE Name: 4-iodothieno[2,3-b]thiophene
IUPAC Name: 4-iodothieno[2,3-b]thiophene
SYSTEMATIC NAME: 4-iodanylthieno[2,3-b]thiophene
MOLECULAR FORMULA: C6H3IS2
MOLECULAR WEIGHT: 266.12249
SMILES: C1=CSC2=C1C(=CS2)I
Structure:

CAS RN: 53020-10-3
CAS Name: 5-iodothieno[2,3-b]thiophene
OPENEYE Name: 5-iodothieno[2,3-b]thiophene
IUPAC Name: 5-iodothieno[2,3-b]thiophene
SYSTEMATIC NAME: 5-iodanylthieno[2,3-b]thiophene
MOLECULAR FORMULA: C6H3IS2
MOLECULAR WEIGHT: 266.12249
SMILES: C1=CSC2=C1C=C(S2)I
Structure:

CAS RN: 53011-99-7
CAS Name: 2,3,5,6-tetramethylene-7-oxabicyclo[2.2.1]heptane
OPENEYE Name: 2,3,5,6-tetramethylene-7-oxabicyclo[2.2.1]heptane
IUPAC Name: 2,3,5,6-tetramethylidene-7-oxabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,3,5,6-tetramethylidene-7-oxabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C=C1C2C(=C)C(=C)C(C1=C)O2
Structure:

CAS RN: 53011-95-3
CAS Name: 2,3-dimethylene-7-oxabicyclo[2.2.1]heptane
OPENEYE Name: 2,3-dimethylene-7-oxabicyclo[2.2.1]heptane
IUPAC Name: 2,3-dimethylidene-7-oxabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,3-dimethylidene-7-oxabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: C=C1C2CCC(C1=C)O2
Structure:

CAS RN: 53011-74-8
CAS Name: bicyclo[6.2.2]dodeca-1(10),8,11-triene
OPENEYE Name: bicyclo[6.2.2]dodeca-1(10),8,11-triene
IUPAC Name: bicyclo[6.2.2]dodeca-1(10),8,11-triene
SYSTEMATIC NAME: bicyclo[6.2.2]dodeca-1(10),8,11-triene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CCCC2=CC=C(CC1)C=C2
Structure:

CAS RN: 53010-03-0
CAS Name: N-methyl-2H-tetrazol-5-amine
OPENEYE Name: N-methyl-2H-tetrazol-5-amine
IUPAC Name: N-methyl-2H-tetrazol-5-amine
SYSTEMATIC NAME: N-methyl-2H-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C2H5N5
MOLECULAR WEIGHT: 99.0946
SMILES: CNC1=NNN=N1
Structure:

CAS RN: 52965-57-8
CAS Name: 7,8-dioxabicyclo[4.2.2]decane
OPENEYE Name: 7,8-dioxabicyclo[4.2.2]decane
IUPAC Name: 7,8-dioxabicyclo[4.2.2]decane
SYSTEMATIC NAME: 7,8-dioxabicyclo[4.2.2]decane
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CCC2CCC(C1)OO2
Structure:

CAS RN: 52943-99-4
CAS Name: 2,4-dimethylenebicyclo[3.2.1]octane
OPENEYE Name: 2,4-dimethylenebicyclo[3.2.1]octane
IUPAC Name: 2,4-dimethylidenebicyclo[3.2.1]octane
SYSTEMATIC NAME: 2,4-dimethylidenebicyclo[3.2.1]octane
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: C=C1CC(=C)C2CCC1C2
Structure:

CAS RN: 52939-61-4
CAS Name: 4-propyl-4-hepta-1,6-dienol
OPENEYE Name: 4-propylhepta-1,6-dien-4-ol
IUPAC Name: 4-propylhepta-1,6-dien-4-ol
SYSTEMATIC NAME: 4-propylhepta-1,6-dien-4-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCC(CC=C)(CC=C)O
Structure:

CAS RN: 52937-36-7
CAS Name: 2-methyl-3-octene
OPENEYE Name: 2-methyloct-3-ene
IUPAC Name: 2-methyloct-3-ene
SYSTEMATIC NAME: 2-methyloct-3-ene
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CCCCC=CC(C)C
Structure:

CAS RN: 52931-63-2
CAS Name: ethyne; thorium(2+)
OPENEYE Name: acetylene; thorium(2+)
IUPAC Name: ethyne; thorium(2+)
SYSTEMATIC NAME: ethyne; thorium(2+)
MOLECULAR FORMULA: C4H2Th
MOLECULAR WEIGHT: 282.09678
SMILES: C#[C-].C#[C-].[Th+2]
Structure:

CAS RN: 52911-99-6
CAS Name: 2-methyl-6-(methylthio)-4-pyranone
OPENEYE Name: 2-methyl-6-methylsulfanyl-pyran-4-one
IUPAC Name: 2-methyl-6-methylsulfanylpyran-4-one
SYSTEMATIC NAME: 2-methyl-6-methylsulfanyl-pyran-4-one
MOLECULAR FORMULA: C7H8O2S
MOLECULAR WEIGHT: 156.20222
SMILES: CC1=CC(=O)C=C(O1)SC
Structure:

CAS RN: 52911-98-5
CAS Name: 4-methoxy-6-methyl-2-pyranthione
OPENEYE Name: 4-methoxy-6-methyl-pyran-2-thione
IUPAC Name: 4-methoxy-6-methylpyran-2-thione
SYSTEMATIC NAME: 4-methoxy-6-methyl-pyran-2-thione
MOLECULAR FORMULA: C7H8O2S
MOLECULAR WEIGHT: 156.20222
SMILES: CC1=CC(=CC(=S)O1)OC
Structure:

CAS RN: 52908-35-7
CAS Name: (2S)-2,3-ditert-butylthiirane
OPENEYE Name: (2S)-2,3-ditert-butylthiirane
IUPAC Name: (2S)-2,3-ditert-butylthiirane
SYSTEMATIC NAME: (2S)-2,3-ditert-butylthiirane
MOLECULAR FORMULA: C10H20S
MOLECULAR WEIGHT: 172.3308
SMILES: CC(C)(C)[C@H]1C(S1)C(C)(C)C
Structure:

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