CAS RN: 6079-57-8
CAS Name: 2,2-dimethyl-1-(methylthio)propane
OPENEYE Name: 2,2-dimethyl-1-methylsulfanyl-propane
IUPAC Name: 2,2-dimethyl-1-methylsulfanylpropane
SYSTEMATIC NAME: 2,2-dimethyl-1-methylsulfanyl-propane
MOLECULAR FORMULA: C6H14S
MOLECULAR WEIGHT: 118.24036
SMILES: CC(C)(C)CSC
Structure:
CAS RN: 6076-64-8
CAS Name: 1-methyl-2-phenyl-1,3,2-diazaborolidine
OPENEYE Name: 1-methyl-2-phenyl-1,3,2-diazaborolidine
IUPAC Name: 1-methyl-2-phenyl-1,3,2-diazaborolidine
SYSTEMATIC NAME: 1-methyl-2-phenyl-1,3,2-diazaborolidine
MOLECULAR FORMULA: C9H13BN2
MOLECULAR WEIGHT: 160.02392
SMILES: B1(NCCN1C)C2=CC=CC=C2
Structure:
CAS RN: 6074-99-3
CAS Name: bicyclo[4.4.1]undeca-2,4,7,9-tetraene
OPENEYE Name: bicyclo[4.4.1]undeca-2,4,7,9-tetraene
IUPAC Name: bicyclo[4.4.1]undeca-2,4,7,9-tetraene
SYSTEMATIC NAME: bicyclo[4.4.1]undeca-2,4,7,9-tetraene
MOLECULAR FORMULA: C11H12
MOLECULAR WEIGHT: 144.21298
SMILES: C1C2C=CC=CC1C=CC=C2
Structure:
CAS RN: 6069-38-1
CAS Name: N,N,1,3-tetramethyl-1,3,2-diazaphospholidin-2-amine
OPENEYE Name: N,N,1,3-tetramethyl-1,3,2-diazaphospholidin-2-amine
IUPAC Name: N,N,1,3-tetramethyl-1,3,2-diazaphospholidin-2-amine
SYSTEMATIC NAME: N,N,1,3-tetramethyl-1,3,2-diazaphospholidin-2-amine
MOLECULAR FORMULA: C6H16N3P
MOLECULAR WEIGHT: 161.185101
SMILES: CN1CCN(P1N(C)C)C
Structure:
CAS RN: 6065-54-9
CAS Name: 2,2-dimethylpropanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2,2-dimethylpropanedioate
IUPAC Name: dimethyl 2,2-dimethylpropanedioate
SYSTEMATIC NAME: dimethyl 2,2-dimethylpropanedioate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC(C)(C(=O)OC)C(=O)OC
Structure:
CAS RN: 6064-97-7
CAS Name: 3-tetradecoxypropanoic acid methyl ester
OPENEYE Name: methyl 3-tetradecoxypropanoate
IUPAC Name: methyl 3-tetradecoxypropanoate
SYSTEMATIC NAME: methyl 3-tetradecoxypropanoate
MOLECULAR FORMULA: C18H36O3
MOLECULAR WEIGHT: 300.47664
SMILES: CCCCCCCCCCCCCCOCCC(=O)OC
Structure:
CAS RN: 6063-72-5
CAS Name: trimethyl(trimethylsilylimino)phosphorane
OPENEYE Name: trimethyl(trimethylsilylimino)-$l^{5}-phosphane
IUPAC Name: trimethyl(trimethylsilylimino)-$l^{5}-phosphane
SYSTEMATIC NAME: trimethyl(trimethylsilylimino)-$l^{5}-phosphane
MOLECULAR FORMULA: C6H18NPSi
MOLECULAR WEIGHT: 163.273081
SMILES: C[Si](C)(C)N=P(C)(C)C
Structure:
CAS RN: 6053-74-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C1=CC2C=CC3C2C1C=C3
Structure:
CAS RN: 6051-40-7
CAS Name: 1,3-dicyclopentylcyclopentane
OPENEYE Name: 1,3-dicyclopentylcyclopentane
IUPAC Name: 1,3-dicyclopentylcyclopentane
SYSTEMATIC NAME: 1,3-dicyclopentylcyclopentane
MOLECULAR FORMULA: C15H26
MOLECULAR WEIGHT: 206.36694
SMILES: C1CCC(C1)C2CCC(C2)C3CCCC3
Structure:
CAS RN: 6050-26-6
CAS Name: N-(1-oxopropyl)propanamide
OPENEYE Name: N-propanoylpropanamide
IUPAC Name: N-propanoylpropanamide
SYSTEMATIC NAME: N-propanoylpropanamide
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CCC(=O)NC(=O)CC
Structure:
CAS RN: 6031-41-0
CAS Name: tetra(butan-2-yl)stannane
OPENEYE Name: tetrasec-butylstannane
IUPAC Name: tetra(butan-2-yl)stannane
SYSTEMATIC NAME: tetra(butan-2-yl)stannane
MOLECULAR FORMULA: C16H36Sn
MOLECULAR WEIGHT: 347.16704
SMILES: CCC(C)[Sn](C(C)CC)(C(C)CC)C(C)CC
Structure:
CAS RN: 6008-27-1
CAS Name: 2-oxecanone
OPENEYE Name: oxecan-2-one
IUPAC Name: oxecan-2-one
SYSTEMATIC NAME: oxecan-2-one
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C1CCCCOC(=O)CCC1
Structure:
CAS RN: 6006-90-2
CAS Name: pentacosan-13-ylbenzene
OPENEYE Name: 1-dodecyltridecylbenzene
IUPAC Name: pentacosan-13-ylbenzene
SYSTEMATIC NAME: pentacosan-13-ylbenzene
MOLECULAR FORMULA: C31H56
MOLECULAR WEIGHT: 428.77634
SMILES: CCCCCCCCCCCCC(CCCCCCCCCCCC)C1=CC=CC=C1
Structure:
CAS RN: 6006-34-4
CAS Name: tridecylcyclopentane
OPENEYE Name: tridecylcyclopentane
IUPAC Name: tridecylcyclopentane
SYSTEMATIC NAME: tridecylcyclopentane
MOLECULAR FORMULA: C18H36
MOLECULAR WEIGHT: 252.47844
SMILES: CCCCCCCCCCCCCC1CCCC1
Structure:
CAS RN: 13969-03-4
CAS Name: 1,2,3,4-tetratert-butyltetraphosphetane
OPENEYE Name: 1,2,3,4-tetratert-butyltetraphosphetane
IUPAC Name: 1,2,3,4-tetratert-butyltetraphosphetane
SYSTEMATIC NAME: 1,2,3,4-tetratert-butyl-1,2,3,4-tetraphosphetane
MOLECULAR FORMULA: C16H36P4
MOLECULAR WEIGHT: 352.352084
SMILES: CC(C)(C)P1P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 5995-07-3
CAS Name: 1,2,3,4-tetratert-butyltetraphosphetane
OPENEYE Name: 1,2,3,4-tetratert-butyltetraphosphetane
IUPAC Name: 1,2,3,4-tetratert-butyltetraphosphetane
SYSTEMATIC NAME: 1,2,3,4-tetratert-butyl-1,2,3,4-tetraphosphetane
MOLECULAR FORMULA: C16H36P4
MOLECULAR WEIGHT: 352.352084
SMILES: CC(C)(C)P1P(P(P1C(C)(C)C)C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 5981-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H21N3
MOLECULAR WEIGHT: 207.31524
SMILES: C1CC2N(C1)C3CCCN3C4N2CCC4
Structure:
CAS RN: 5980-89-2
CAS Name: dithiophen-2-ylmercury
OPENEYE Name: bis(2-thienyl)mercury
IUPAC Name: dithiophen-2-ylmercury
SYSTEMATIC NAME: dithiophen-2-ylmercury
MOLECULAR FORMULA: C8H6HgS2
MOLECULAR WEIGHT: 366.85324
SMILES: C1=CSC(=C1)[Hg]C2=CC=CS2
Structure:
CAS RN: 5972-09-8
CAS Name: 4-(methylamino)isoindole-1,3-dione
OPENEYE Name: 4-(methylamino)isoindoline-1,3-dione
IUPAC Name: 4-(methylamino)isoindole-1,3-dione
SYSTEMATIC NAME: 4-(methylamino)isoindole-1,3-dione
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CNC1=CC=CC2=C1C(=O)NC2=O
Structure:
CAS RN: 5972-07-6
CAS Name: 4,7-bis(dimethylamino)isoindole-1,3-dione
OPENEYE Name: 4,7-bis(dimethylamino)isoindoline-1,3-dione
IUPAC Name: 4,7-bis(dimethylamino)isoindole-1,3-dione
SYSTEMATIC NAME: 4,7-bis(dimethylamino)isoindole-1,3-dione
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: CN(C)C1=C2C(=C(C=C1)N(C)C)C(=O)NC2=O
Structure:
CAS RN: 5961-98-8
CAS Name: thiocyanic acid chloro ester
OPENEYE Name: chloro thiocyanate
IUPAC Name: chloro thiocyanate
SYSTEMATIC NAME: chloranyl thiocyanate
MOLECULAR FORMULA: CClNS
MOLECULAR WEIGHT: 93.5354
SMILES: C(#N)SCl
Structure:
CAS RN: 5960-95-2
CAS Name: 4-chloro-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-chloroquinuclidine
IUPAC Name: 4-chloro-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-chloranyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H12ClN
MOLECULAR WEIGHT: 145.62988
SMILES: C1CN2CCC1(CC2)Cl
Structure:
CAS RN: 5954-75-6
CAS Name: 2-ethenylthiirane
OPENEYE Name: 2-vinylthiirane
IUPAC Name: 2-ethenylthiirane
SYSTEMATIC NAME: 2-ethenylthiirane
MOLECULAR FORMULA: C4H6S
MOLECULAR WEIGHT: 86.15544
SMILES: C=CC1CS1
Structure:
CAS RN: 5951-19-9
CAS Name: selanylidenemethanethione
OPENEYE Name: selenoxomethanethione
IUPAC Name: selanylidenemethanethione
SYSTEMATIC NAME: selanylidenemethanethione
MOLECULAR FORMULA: CSSe
MOLECULAR WEIGHT: 123.0357
SMILES: C(=S)=[Se]
Structure:
CAS RN: 5950-19-6
CAS Name: 3-chloro-3-methyl-2-butanone
OPENEYE Name: 3-chloro-3-methyl-butan-2-one
IUPAC Name: 3-chloro-3-methylbutan-2-one
SYSTEMATIC NAME: 3-chloranyl-3-methyl-butan-2-one
MOLECULAR FORMULA: C5H9ClO
MOLECULAR WEIGHT: 120.57736
SMILES: CC(=O)C(C)(C)Cl
Structure:
CAS RN: 5944-41-2
CAS Name: 2-tert-butylpyridine
OPENEYE Name: 2-tert-butylpyridine
IUPAC Name: 2-tert-butylpyridine
SYSTEMATIC NAME: 2-tert-butylpyridine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC(C)(C)C1=CC=CC=N1
Structure:
CAS RN: 5943-40-8
CAS Name: 2-isoselenocyanato-2-methylpropane
OPENEYE Name: 2-isoselenocyanato-2-methyl-propane
IUPAC Name: 2-isoselenocyanato-2-methylpropane
SYSTEMATIC NAME: 2-isoselenocyanato-2-methyl-propane
MOLECULAR FORMULA: C5H9NSe
MOLECULAR WEIGHT: 162.09166
SMILES: CC(C)(C)N=C=[Se]
Structure:
CAS RN: 5926-87-4
CAS Name: 3,3,4,4-tetrafluoro-1-butanol
OPENEYE Name: 3,3,4,4-tetrafluorobutan-1-ol
IUPAC Name: 3,3,4,4-tetrafluorobutan-1-ol
SYSTEMATIC NAME: 3,3,4,4-tetrakis(fluoranyl)butan-1-ol
MOLECULAR FORMULA: C4H6F4O
MOLECULAR WEIGHT: 146.083453
SMILES: C(CO)C(C(F)F)(F)F
Structure:
CAS RN: 5909-25-1
CAS Name: 2,4-bis(methylthio)-5-pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
MOLECULAR FORMULA: C9H12N2O2S2
MOLECULAR WEIGHT: 244.33378
SMILES: CCOC(=O)C1=CN=C(N=C1SC)SC
Structure:
CAS RN: 5908-41-8
CAS Name: phenyl(trimethylsilyl)methanone
OPENEYE Name: phenyl(trimethylsilyl)methanone
IUPAC Name: phenyl(trimethylsilyl)methanone
SYSTEMATIC NAME: phenyl(trimethylsilyl)methanone
MOLECULAR FORMULA: C10H14OSi
MOLECULAR WEIGHT: 178.30306
SMILES: C[Si](C)(C)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 5906-73-0
CAS Name: ethyl-hydroxy-dimethylsilane
OPENEYE Name: ethyl-hydroxy-dimethyl-silane
IUPAC Name: ethyl-hydroxy-dimethylsilane
SYSTEMATIC NAME: ethyl-dimethyl-oxidanyl-silane
MOLECULAR FORMULA: C4H12OSi
MOLECULAR WEIGHT: 104.22298
SMILES: CC[Si](C)(C)O
Structure:
CAS RN: 5905-48-6
CAS Name: cadmium(2+); propane
OPENEYE Name: cadmium(2+); propane
IUPAC Name: cadmium(2+); propane
SYSTEMATIC NAME: cadmium(2+); propane
MOLECULAR FORMULA: C6H14Cd
MOLECULAR WEIGHT: 198.58636
SMILES: CC[CH2-].CC[CH2-].[Cd+2]
Structure:
CAS RN: 5894-65-5
CAS Name: N-tert-butylbenzamide
OPENEYE Name: N-tert-butylbenzamide
IUPAC Name: N-tert-butylbenzamide
SYSTEMATIC NAME: N-tert-butylbenzamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1
Structure:
CAS RN: 5891-25-8
CAS Name: 4,4-dimethyl-1-pentyn-3-one
OPENEYE Name: 4,4-dimethylpent-1-yn-3-one
IUPAC Name: 4,4-dimethylpent-1-yn-3-one
SYSTEMATIC NAME: 4,4-dimethylpent-1-yn-3-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC(C)(C)C(=O)C#C
Structure:
CAS RN: 5876-51-7
CAS Name: 5-iodo-1,3-benzodioxole
OPENEYE Name: 5-iodo-1,3-benzodioxole
IUPAC Name: 5-iodo-1,3-benzodioxole
SYSTEMATIC NAME: 5-iodanyl-1,3-benzodioxole
MOLECULAR FORMULA: C7H5IO2
MOLECULAR WEIGHT: 248.01787
SMILES: C1OC2=C(O1)C=C(C=C2)I
Structure:
CAS RN: 5870-63-3
CAS Name: 3-hydroxy-2-methyl-1-cyclopent-2-enone
OPENEYE Name: 3-hydroxy-2-methyl-cyclopent-2-en-1-one
IUPAC Name: 3-hydroxy-2-methylcyclopent-2-en-1-one
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC1=C(CCC1=O)O
Structure:
CAS RN: 5869-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H14
MOLECULAR WEIGHT: 326.38936
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC6=C5C7=C(C=C6)C=CC(=C74)C=C3
Structure:
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