CAS RN: 42426-06-2
CAS Name: 2-(2-methylbutan-2-yloxymethyl)oxirane
OPENEYE Name: 2-(1,1-dimethylpropoxymethyl)oxirane
IUPAC Name: 2-(2-methylbutan-2-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(2-methylbutan-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCC(C)(C)OCC1CO1
Structure:
CAS RN: 42371-86-8
CAS Name: 10,10-dimethylbenzo[b][1,4]benzothiastannin
OPENEYE Name: 10,10-dimethylbenzo[b][1,4]benzothiastannine
IUPAC Name: 10,10-dimethylbenzo[b][1,4]benzothiastannine
SYSTEMATIC NAME: 10,10-dimethylbenzo[b][1,4]benzothiastannine
MOLECULAR FORMULA: C14H14SSn
MOLECULAR WEIGHT: 333.03596
SMILES: C[Sn]1(C2=CC=CC=C2SC3=CC=CC=C31)C
Structure:
CAS RN: 42371-66-4
CAS Name: 6-tridecyne
OPENEYE Name: tridec-6-yne
IUPAC Name: tridec-6-yne
SYSTEMATIC NAME: tridec-6-yne
MOLECULAR FORMULA: C13H24
MOLECULAR WEIGHT: 180.32966
SMILES: CCCCCCC#CCCCCC
Structure:
CAS RN: 42348-86-7
CAS Name: 5-chloro-2,3-dihydroinden-1-one
OPENEYE Name: 5-chloroindan-1-one
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-chloranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7ClO
MOLECULAR WEIGHT: 166.60428
SMILES: C1CC(=O)C2=C1C=C(C=C2)Cl
Structure:
CAS RN: 42347-48-8
CAS Name: cyclopentylcycloheptane
OPENEYE Name: cyclopentylcycloheptane
IUPAC Name: cyclopentylcycloheptane
SYSTEMATIC NAME: cyclopentylcycloheptane
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: C1CCCC(CC1)C2CCCC2
Structure:
CAS RN: 42332-45-6
CAS Name: 3-chloro-1-azabicyclo[2.2.2]octane
OPENEYE Name: 3-chloroquinuclidine
IUPAC Name: 3-chloro-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3-chloranyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H12ClN
MOLECULAR WEIGHT: 145.62988
SMILES: C1CN2CCC1C(C2)Cl
Structure:
CAS RN: 42301-38-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC2C1C3C=CC2C4C3C(=O)C4=O
Structure:
CAS RN: 42299-62-7
CAS Name: 1-phenyl-1a,6a-dihydroindeno[1,2-b]azirin-6-one
OPENEYE Name: 1-phenyl-1a,6a-dihydroindeno[1,2-b]azirin-6-one
IUPAC Name: 1-phenyl-1a,6a-dihydroindeno[1,2-b]azirin-6-one
SYSTEMATIC NAME: 1-phenyl-1a,6a-dihydroindeno[1,2-b]azirin-6-one
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C(C=C1)N2C3C2C(=O)C4=CC=CC=C34
Structure:
CAS RN: 42282-85-9
CAS Name: 3,3-diethylazetidine-2,4-dione
OPENEYE Name: 3,3-diethylazetidine-2,4-dione
IUPAC Name: 3,3-diethylazetidine-2,4-dione
SYSTEMATIC NAME: 3,3-diethylazetidine-2,4-dione
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CCC1(C(=O)NC1=O)CC
Structure:
CAS RN: 42282-82-6
CAS Name: 3-ethyl-3-phenylazetidine-2,4-dione
OPENEYE Name: 3-ethyl-3-phenyl-azetidine-2,4-dione
IUPAC Name: 3-ethyl-3-phenylazetidine-2,4-dione
SYSTEMATIC NAME: 3-ethyl-3-phenyl-azetidine-2,4-dione
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CCC1(C(=O)NC1=O)C2=CC=CC=C2
Structure:
CAS RN: 42271-88-5
CAS Name: acetic acid 2-(1H-inden-1-yl)propan-2-yl ester
OPENEYE Name: [1-(1H-inden-1-yl)-1-methyl-ethyl] acetate
IUPAC Name: 2-(1H-inden-1-yl)propan-2-yl acetate
SYSTEMATIC NAME: 2-(1H-inden-1-yl)propan-2-yl ethanoate
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(=O)OC(C)(C)C1C=CC2=CC=CC=C12
Structure:
CAS RN: 42246-24-2
CAS Name: trioxorhenium hydrofluoride
OPENEYE Name: trioxorhenium hydrofluoride
IUPAC Name: trioxorhenium hydrofluoride
SYSTEMATIC NAME: tris(oxidanylidene)rhenium hydrofluoride
MOLECULAR FORMULA: FHO3Re
MOLECULAR WEIGHT: 254.211543
SMILES: O=[Re](=O)=O.F
Structure:
CAS RN: 42237-97-8
CAS Name: 3-methylbut-1-en-2-yloxybenzene
OPENEYE Name: (2-methyl-1-methylene-propoxy)benzene
IUPAC Name: 3-methylbut-1-en-2-yloxybenzene
SYSTEMATIC NAME: 3-methylbut-1-en-2-yloxybenzene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC(C)C(=C)OC1=CC=CC=C1
Structure:
CAS RN: 42206-11-1
CAS Name: 1,2-bis(ethenyl)cyclobutene
OPENEYE Name: 1,2-divinylcyclobutene
IUPAC Name: 1,2-bis(ethenyl)cyclobutene
SYSTEMATIC NAME: 1,2-bis(ethenyl)cyclobutene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C=CC1=C(CC1)C=C
Structure:
CAS RN: 42206-10-0
CAS Name: bicyclo[4.2.0]octa-1,5-diene
OPENEYE Name: bicyclo[4.2.0]octa-1,5-diene
IUPAC Name: bicyclo[4.2.0]octa-1,5-diene
SYSTEMATIC NAME: bicyclo[4.2.0]octa-1,5-diene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: C1CC=C2CCC2=C1
Structure:
CAS RN: 42205-57-2
CAS Name: 3-oxo-1-cycloheptenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-oxocycloheptene-1-carboxylate
IUPAC Name: methyl 3-oxocycloheptene-1-carboxylate
SYSTEMATIC NAME: methyl 3-oxidanylidenecycloheptene-1-carboxylate
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: COC(=O)C1=CC(=O)CCCC1
Structure:
CAS RN: 42185-47-7
CAS Name: 2,3,6-trimethyl-1-cyclohexanone
OPENEYE Name: 2,3,6-trimethylcyclohexanone
IUPAC Name: 2,3,6-trimethylcyclohexan-1-one
SYSTEMATIC NAME: 2,3,6-trimethylcyclohexan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC1CCC(C(=O)C1C)C
Structure:
CAS RN: 42182-84-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20
MOLECULAR WEIGHT: 260.3728
SMILES: C1CC2=CC=CC=C2C3C1C4C3C5=CC=CC=C5CC4
Structure:
CAS RN: 42152-37-4
CAS Name: 2,3-dicyclopropyl-1-cycloprop-2-enone
OPENEYE Name: 2,3-dicyclopropylcycloprop-2-en-1-one
IUPAC Name: 2,3-dicyclopropylcycloprop-2-en-1-one
SYSTEMATIC NAME: 2,3-dicyclopropylcycloprop-2-en-1-one
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: C1CC1C2=C(C2=O)C3CC3
Structure:
CAS RN: 42148-23-2
CAS Name: methanedisulfonyl fluoride
OPENEYE Name: methanedisulfonyl fluoride
IUPAC Name: methanedisulfonyl fluoride
SYSTEMATIC NAME: methanedisulfonyl fluoride
MOLECULAR FORMULA: CH2F2O4S2
MOLECULAR WEIGHT: 180.150986
SMILES: C(S(=O)(=O)F)S(=O)(=O)F
Structure:
CAS RN: 42137-24-6
CAS Name: 5-nitro-3-thiophenecarbonitrile
OPENEYE Name: 5-nitrothiophene-3-carbonitrile
IUPAC Name: 5-nitrothiophene-3-carbonitrile
SYSTEMATIC NAME: 5-nitrothiophene-3-carbonitrile
MOLECULAR FORMULA: C5H2N2O2S
MOLECULAR WEIGHT: 154.14658
SMILES: C1=C(SC=C1C#N)[N+](=O)[O-]
Structure:
CAS RN: 42131-85-1
CAS Name: 2-chloro-1-pentene
OPENEYE Name: 2-chloropent-1-ene
IUPAC Name: 2-chloropent-1-ene
SYSTEMATIC NAME: 2-chloranylpent-1-ene
MOLECULAR FORMULA: C5H9Cl
MOLECULAR WEIGHT: 104.57796
SMILES: CCCC(=C)Cl
Structure:
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