CAS RN: 4074-59-3
CAS Name: 3,10-dimethylbenzo[g]pteridine-2,4-dione
OPENEYE Name: 3,10-dimethylbenzo[g]pteridine-2,4-dione
IUPAC Name: 3,10-dimethylbenzo[g]pteridine-2,4-dione
SYSTEMATIC NAME: 3,10-dimethylbenzo[g]pteridine-2,4-dione
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: CN1C2=CC=CC=C2N=C3C1=NC(=O)N(C3=O)C
Structure:
CAS RN: 4074-46-8
CAS Name: 4-methyl-2-propylphenol
OPENEYE Name: 4-methyl-2-propyl-phenol
IUPAC Name: 4-methyl-2-propylphenol
SYSTEMATIC NAME: 4-methyl-2-propyl-phenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CCCC1=C(C=CC(=C1)C)O
Structure:
CAS RN: 4056-73-9
CAS Name: 2-acetylcyclohexane-1,3-dione
OPENEYE Name: 2-acetylcyclohexane-1,3-dione
IUPAC Name: 2-acetylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-ethanoylcyclohexane-1,3-dione
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CC(=O)C1C(=O)CCCC1=O
Structure:
CAS RN: 4055-94-1
CAS Name: nitric acid (2-methyl-2-nitro-3-nitrooxypropyl) ester
OPENEYE Name: (2-methyl-2-nitro-3-nitrooxy-propyl) nitrate
IUPAC Name: (2-methyl-2-nitro-3-nitrooxypropyl) nitrate
SYSTEMATIC NAME: (2-methyl-2-nitro-3-nitrooxy-propyl) nitrate
MOLECULAR FORMULA: C4H7N3O8
MOLECULAR WEIGHT: 225.11368
SMILES: CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4052-88-4
CAS Name: N,N-dimethyl-1-(4-methylphenyl)methanamine
OPENEYE Name: N,N-dimethyl-1-(p-tolyl)methanamine
IUPAC Name: N,N-dimethyl-1-(4-methylphenyl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(4-methylphenyl)methanamine
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC1=CC=C(C=C1)CN(C)C
Structure:
CAS RN: 4046-03-1
CAS Name: 2-methyl-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-methyl-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-methyl-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-methyl-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC1=NN=C(O1)C2=CC=CC=C2
Structure:
CAS RN: 4045-30-1
CAS Name: 4,4-dimethylpiperidine
OPENEYE Name: 4,4-dimethylpiperidine
IUPAC Name: 4,4-dimethylpiperidine
SYSTEMATIC NAME: 4,4-dimethylpiperidine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CC1(CCNCC1)C
Structure:
CAS RN: 4037-12-1
CAS Name: 1-dimethoxyphosphoryl-3-methylbuta-1,2-diene
OPENEYE Name: 1-dimethoxyphosphoryl-3-methyl-buta-1,2-diene
IUPAC Name: 1-dimethoxyphosphoryl-3-methylbuta-1,2-diene
SYSTEMATIC NAME: 1-dimethoxyphosphoryl-3-methyl-buta-1,2-diene
MOLECULAR FORMULA: C7H13O3P
MOLECULAR WEIGHT: 176.150081
SMILES: CC(=C=CP(=O)(OC)OC)C
Structure:
CAS RN: 4030-28-8
CAS Name: 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,4-dimethyl-5-oxidanyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CCOC(=O)C1=C(NC(=C1C)O)C
Structure:
CAS RN: 4017-64-5
CAS Name: 4-chloro-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
OPENEYE Name: 1-chloro-3,3-dimethyl-2-methylene-norbornane
IUPAC Name: 4-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SYSTEMATIC NAME: 4-chloranyl-2,2-dimethyl-3-methylidene-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H15Cl
MOLECULAR WEIGHT: 170.6791
SMILES: CC1(C2CCC(C2)(C1=C)Cl)C
Structure:
CAS RN: 3999-27-7
CAS Name: zinc bis(trimethylsilyl)azanide
OPENEYE Name: zinc bis(trimethylsilyl)azanide
IUPAC Name: zinc bis(trimethylsilyl)azanide
SYSTEMATIC NAME: zinc bis(trimethylsilyl)azanide
MOLECULAR FORMULA: C12H36N2Si4Zn
MOLECULAR WEIGHT: 386.17864
SMILES: C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Zn+2]
Structure:
CAS RN: 3993-62-2
CAS Name: 1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene
OPENEYE Name: 1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene
IUPAC Name: 1,4-dichloro-2,3-diazabicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: 1,4-bis(chloranyl)-2,3-diazabicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C6H8Cl2N2
MOLECULAR WEIGHT: 179.04712
SMILES: C1CC2(CCC1(N=N2)Cl)Cl
Structure:
CAS RN: 3988-99-6
CAS Name: 2-(thiophen-2-ylthio)thiophene
OPENEYE Name: 2-(2-thienylsulfanyl)thiophene
IUPAC Name: 2-thiophen-2-ylsulfanylthiophene
SYSTEMATIC NAME: 2-thiophen-2-ylsulfanylthiophene
MOLECULAR FORMULA: C8H6S3
MOLECULAR WEIGHT: 198.32824
SMILES: C1=CSC(=C1)SC2=CC=CS2
Structure:
CAS RN: 3983-07-1
CAS Name: 3-butylcyclohexene
OPENEYE Name: 3-butylcyclohexene
IUPAC Name: 3-butylcyclohexene
SYSTEMATIC NAME: 3-butylcyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CCCCC1CCCC=C1
Structure:
CAS RN: 3983-06-0
CAS Name: 3-propylcyclohexene
OPENEYE Name: 3-propylcyclohexene
IUPAC Name: 3-propylcyclohexene
SYSTEMATIC NAME: 3-propylcyclohexene
MOLECULAR FORMULA: C9H16
MOLECULAR WEIGHT: 124.22334
SMILES: CCCC1CCCC=C1
Structure:
CAS RN: 3983-03-7
CAS Name: 1-(2-methylpropyl)cyclohexene
OPENEYE Name: 1-isobutylcyclohexene
IUPAC Name: 1-(2-methylpropyl)cyclohexene
SYSTEMATIC NAME: 1-(2-methylpropyl)cyclohexene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC(C)CC1=CCCCC1
Structure:
CAS RN: 3976-34-9
CAS Name: 1,3-dimethyl-2-phenylbenzene
OPENEYE Name: 1,3-dimethyl-2-phenyl-benzene
IUPAC Name: 1,3-dimethyl-2-phenylbenzene
SYSTEMATIC NAME: 1,3-dimethyl-2-phenyl-benzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: CC1=C(C(=CC=C1)C)C2=CC=CC=C2
Structure:
CAS RN: 3975-77-7
CAS Name: 2-bromo-1,3,5-tritert-butylbenzene
OPENEYE Name: 2-bromo-1,3,5-tritert-butyl-benzene
IUPAC Name: 2-bromo-1,3,5-tritert-butylbenzene
SYSTEMATIC NAME: 2-bromanyl-1,3,5-tritert-butyl-benzene
MOLECULAR FORMULA: C18H29Br
MOLECULAR WEIGHT: 325.32686
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)Br)C(C)(C)C
Structure:
CAS RN: 3972-55-2
CAS Name: 1-tert-butyl-3-chlorobenzene
OPENEYE Name: 1-tert-butyl-3-chloro-benzene
IUPAC Name: 1-tert-butyl-3-chlorobenzene
SYSTEMATIC NAME: 1-tert-butyl-3-chloranyl-benzene
MOLECULAR FORMULA: C10H13Cl
MOLECULAR WEIGHT: 168.66322
SMILES: CC(C)(C)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 3970-28-3
CAS Name: 5-methyl-2-thiophenethiol
OPENEYE Name: 5-methylthiophene-2-thiol
IUPAC Name: 5-methylthiophene-2-thiol
SYSTEMATIC NAME: 5-methylthiophene-2-thiol
MOLECULAR FORMULA: C5H6S2
MOLECULAR WEIGHT: 130.23114
SMILES: CC1=CC=C(S1)S
Structure:
CAS RN: 3968-86-3
CAS Name: 2-methyl-1-phenyl-1-butanol
OPENEYE Name: 2-methyl-1-phenyl-butan-1-ol
IUPAC Name: 2-methyl-1-phenylbutan-1-ol
SYSTEMATIC NAME: 2-methyl-1-phenyl-butan-1-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC(C)C(C1=CC=CC=C1)O
Structure:
CAS RN: 3968-63-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6S
MOLECULAR WEIGHT: 158.21964
SMILES: C1=CC2=C3C(=C1)SC3=CC=C2
Structure:
CAS RN: 3964-66-7
CAS Name: 1-hexylcyclohexene
OPENEYE Name: 1-hexylcyclohexene
IUPAC Name: 1-hexylcyclohexene
SYSTEMATIC NAME: 1-hexylcyclohexene
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CCCCCCC1=CCCCC1
Structure:
CAS RN: 3958-66-5
CAS Name: 2-$l^{1}-oxidanylpropane
OPENEYE Name: 2-$l^{1}-oxidanylpropane
IUPAC Name: 2-$l^{1}-oxidanylpropane
SYSTEMATIC NAME: 2-$l^{1}-oxidanylpropane
MOLECULAR FORMULA: C3H7O
MOLECULAR WEIGHT: 59.08708
SMILES: CC(C)[O]
Structure:
CAS RN: 3949-47-1
CAS Name: N-bis(dibutylamino)phosphinothioyl-N-butyl-1-butanamine
OPENEYE Name: N-bis(dibutylamino)phosphinothioyl-N-butyl-butan-1-amine
IUPAC Name: N-bis(dibutylamino)phosphinothioyl-N-butylbutan-1-amine
SYSTEMATIC NAME: N-bis(dibutylamino)phosphinothioyl-N-butyl-butan-1-amine
MOLECULAR FORMULA: C24H54N3PS
MOLECULAR WEIGHT: 447.744421
SMILES: CCCCN(CCCC)P(=S)(N(CCCC)CCCC)N(CCCC)CCCC
Structure:
CAS RN: 3944-27-2
CAS Name: 2-dichlorophosphoryl-1-propene
OPENEYE Name: 2-dichlorophosphorylprop-1-ene
IUPAC Name: 2-dichlorophosphorylprop-1-ene
SYSTEMATIC NAME: 2-bis(chloranyl)phosphorylprop-1-ene
MOLECULAR FORMULA: C3H5Cl2OP
MOLECULAR WEIGHT: 158.950961
SMILES: CC(=C)P(=O)(Cl)Cl
Structure:
CAS RN: 3944-08-9
CAS Name: 1-methyl-1-phenylsiletane
OPENEYE Name: 1-methyl-1-phenyl-siletane
IUPAC Name: 1-methyl-1-phenylsiletane
SYSTEMATIC NAME: 1-methyl-1-phenyl-siletane
MOLECULAR FORMULA: C10H14Si
MOLECULAR WEIGHT: 162.30366
SMILES: C[Si]1(CCC1)C2=CC=CC=C2
Structure:
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