CAS RN: 16483-98-0
CAS Name: 2,3-diphenyl-2H-azirine
OPENEYE Name: 2,3-diphenyl-2H-azirine
IUPAC Name: 2,3-diphenyl-2H-azirine
SYSTEMATIC NAME: 2,3-diphenyl-2H-azirine
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: C1=CC=C(C=C1)C2C(=N2)C3=CC=CC=C3
Structure:
CAS RN: 16480-60-7
CAS Name: dichloroiron; tetrachloroiron
OPENEYE Name: dichloroiron; tetrachloroiron
IUPAC Name: dichloroiron; tetrachloroiron
SYSTEMATIC NAME: bis(chloranyl)iron; tetrakis(chloranyl)iron
MOLECULAR FORMULA: Cl6Fe2
MOLECULAR WEIGHT: 324.408
SMILES: Cl[Fe]Cl.Cl[Fe](Cl)(Cl)Cl
Structure:
CAS RN: 16478-18-5
CAS Name: 1,2,3,4,5-pentachloro-6-iodobenzene
OPENEYE Name: 1,2,3,4,5-pentachloro-6-iodo-benzene
IUPAC Name: 1,2,3,4,5-pentachloro-6-iodobenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(chloranyl)-6-iodanyl-benzene
MOLECULAR FORMULA: C6Cl5I
MOLECULAR WEIGHT: 376.23367
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)I)Cl)Cl)Cl
Structure:
CAS RN: 16474-41-2
CAS Name: decanoic acid tert-butyl ester
OPENEYE Name: tert-butyl decanoate
IUPAC Name: tert-butyl decanoate
SYSTEMATIC NAME: tert-butyl decanoate
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCCCCCCC(=O)OC(C)(C)C
Structure:
CAS RN: 16474-36-5
CAS Name: decaneperoxoic acid tert-butyl ester
OPENEYE Name: tert-butyl decaneperoxoate
IUPAC Name: tert-butyl decaneperoxoate
SYSTEMATIC NAME: tert-butyl decaneperoxoate
MOLECULAR FORMULA: C14H28O3
MOLECULAR WEIGHT: 244.37032
SMILES: CCCCCCCCCC(=O)OOC(C)(C)C
Structure:
CAS RN: 16473-11-3
CAS Name: bicyclo[3.3.1]nonane-2,6-dione
OPENEYE Name: bicyclo[3.3.1]nonane-2,6-dione
IUPAC Name: bicyclo[3.3.1]nonane-2,6-dione
SYSTEMATIC NAME: bicyclo[3.3.1]nonane-2,6-dione
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C1CC(=O)C2CCC(=O)C1C2
Structure:
CAS RN: 16469-62-8
CAS Name: 1-pentyn-3-one
OPENEYE Name: pent-1-yn-3-one
IUPAC Name: pent-1-yn-3-one
SYSTEMATIC NAME: pent-1-yn-3-one
MOLECULAR FORMULA: C5H6O
MOLECULAR WEIGHT: 82.10054
SMILES: CCC(=O)C#C
Structure:
CAS RN: 16464-43-0
CAS Name: 3-[2-(1-piperidinyl)ethoxy]-1-prop-1-ynyl-1-cyclohexanol
OPENEYE Name: 3-[2-(1-piperidyl)ethoxy]-1-prop-1-ynyl-cyclohexanol
IUPAC Name: 3-(2-piperidin-1-ylethoxy)-1-prop-1-ynylcyclohexan-1-ol
SYSTEMATIC NAME: 3-(2-piperidin-1-ylethoxy)-1-prop-1-ynyl-cyclohexan-1-ol
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CC#CC1(CCCC(C1)OCCN2CCCCC2)O
Structure:
CAS RN: 16464-42-9
CAS Name: 3-[2-[di(propan-2-yl)amino]ethoxy]-1-prop-1-ynyl-1-cyclohexanol
OPENEYE Name: 3-[2-(diisopropylamino)ethoxy]-1-prop-1-ynyl-cyclohexanol
IUPAC Name: 3-[2-[di(propan-2-yl)amino]ethoxy]-1-prop-1-ynylcyclohexan-1-ol
SYSTEMATIC NAME: 3-[2-[di(propan-2-yl)amino]ethoxy]-1-prop-1-ynyl-cyclohexan-1-ol
MOLECULAR FORMULA: C17H31NO2
MOLECULAR WEIGHT: 281.43354
SMILES: CC#CC1(CCCC(C1)OCCN(C(C)C)C(C)C)O
Structure:
CAS RN: 16464-38-3
CAS Name: 3-methyl-6-[2-(1-piperidinyl)ethoxy]-4-hexyn-3-ol
OPENEYE Name: 3-methyl-6-[2-(1-piperidyl)ethoxy]hex-4-yn-3-ol
IUPAC Name: 3-methyl-6-(2-piperidin-1-ylethoxy)hex-4-yn-3-ol
SYSTEMATIC NAME: 3-methyl-6-(2-piperidin-1-ylethoxy)hex-4-yn-3-ol
MOLECULAR FORMULA: C14H25NO2
MOLECULAR WEIGHT: 239.3538
SMILES: CCC(C)(C#CCOCCN1CCCCC1)O
Structure:
CAS RN: 16461-94-2
CAS Name: 4-bromo-1H-pyrazol-5-amine
OPENEYE Name: 4-bromo-1H-pyrazol-5-amine
IUPAC Name: 4-bromo-1H-pyrazol-5-amine
SYSTEMATIC NAME: 4-bromanyl-1H-pyrazol-5-amine
MOLECULAR FORMULA: C3H4BrN3
MOLECULAR WEIGHT: 161.98796
SMILES: C1=NNC(=C1Br)N
Structure:
CAS RN: 16460-56-3
CAS Name: 2,3-diphenyl-1,4-dihydrophthalazine
OPENEYE Name: 2,3-diphenyl-1,4-dihydrophthalazine
IUPAC Name: 2,3-diphenyl-1,4-dihydrophthalazine
SYSTEMATIC NAME: 2,3-diphenyl-1,4-dihydrophthalazine
MOLECULAR FORMULA: C20H18N2
MOLECULAR WEIGHT: 286.37032
SMILES: C1C2=CC=CC=C2CN(N1C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 16456-52-3
CAS Name: 2-phenoxy-1,3,2$l^{5}-diazaphosphorinane 2-oxide
OPENEYE Name: 2-phenoxy-1,3,2$l^{5}-diazaphosphinane 2-oxide
IUPAC Name: 2-phenoxy-1,3,2$l^{5}-diazaphosphinane 2-oxide
SYSTEMATIC NAME: 2-phenoxy-1,3,2$l^{5}-diazaphosphinane 2-oxide
MOLECULAR FORMULA: C9H13N2O2P
MOLECULAR WEIGHT: 212.185481
SMILES: C1CNP(=O)(NC1)OC2=CC=CC=C2
Structure:
CAS RN: 16456-33-0
CAS Name: bicyclo[4.2.1]non-3-ene
OPENEYE Name: bicyclo[4.2.1]non-3-ene
IUPAC Name: bicyclo[4.2.1]non-3-ene
SYSTEMATIC NAME: bicyclo[4.2.1]non-3-ene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CC2CC=CCC1C2
Structure:
CAS RN: 16452-09-8
CAS Name: 2-[(4-methylphenyl)thio]aniline
OPENEYE Name: 2-(p-tolylsulfanyl)aniline
IUPAC Name: 2-(4-methylphenyl)sulfanylaniline
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfanylaniline
MOLECULAR FORMULA: C13H13NS
MOLECULAR WEIGHT: 215.31402
SMILES: CC1=CC=C(C=C1)SC2=CC=CC=C2N
Structure:
CAS RN: 16450-78-5
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosadeuteriocyclododecane
OPENEYE Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosadeuteriocyclododecane
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosadeuteriocyclododecane
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosadeuteriocyclododecane
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 192.466843
SMILES: [2H]C1(C(C(C(C(C(C(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Structure:
CAS RN: 16433-88-8
CAS Name: 2,7-dibromo-9H-fluorene
OPENEYE Name: 2,7-dibromo-9H-fluorene
IUPAC Name: 2,7-dibromo-9H-fluorene
SYSTEMATIC NAME: 2,7-bis(bromanyl)-9H-fluorene
MOLECULAR FORMULA: C13H8Br2
MOLECULAR WEIGHT: 324.01062
SMILES: C1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br
Structure:
CAS RN: 16421-52-6
CAS Name: 1,2-dihydrotetrazol-5-one
OPENEYE Name: 1,2-dihydrotetrazol-5-one
IUPAC Name: 1,2-dihydrotetrazol-5-one
SYSTEMATIC NAME: 1,2-dihydro-1,2,3,4-tetrazol-5-one
MOLECULAR FORMULA: CH2N4O
MOLECULAR WEIGHT: 86.05278
SMILES: C1(=O)NNN=N1
Structure:
CAS RN: 16419-78-6
CAS Name: hexa-2,4-diynedinitrile
OPENEYE Name: hexa-2,4-diynedinitrile
IUPAC Name: hexa-2,4-diynedinitrile
SYSTEMATIC NAME: hexa-2,4-diynedinitrile
MOLECULAR FORMULA: C6N2
MOLECULAR WEIGHT: 100.0776
SMILES: C(#CC#N)C#CC#N
Structure:
CAS RN: 16416-31-2
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
OPENEYE Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
MOLECULAR FORMULA: C18H38
MOLECULAR WEIGHT: 292.728468
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Structure:
CAS RN: 16387-71-6
CAS Name: deca-4,6-diyne
OPENEYE Name: deca-4,6-diyne
IUPAC Name: deca-4,6-diyne
SYSTEMATIC NAME: deca-4,6-diyne
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCCC#CC#CCCC
Structure:
CAS RN: 16387-70-5
CAS Name: octa-3,5-diyne
OPENEYE Name: octa-3,5-diyne
IUPAC Name: octa-3,5-diyne
SYSTEMATIC NAME: octa-3,5-diyne
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CCC#CC#CCC
Structure:
CAS RN: 16386-93-9
CAS Name: 2,2-dimethyl-4-pentenoic acid
OPENEYE Name: 2,2-dimethylpent-4-enoic acid
IUPAC Name: 2,2-dimethylpent-4-enoic acid
SYSTEMATIC NAME: 2,2-dimethylpent-4-enoic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(C)(CC=C)C(=O)O
Structure:
CAS RN: 16356-05-1
CAS Name: 3,4-dimethylenehexane
OPENEYE Name: 3,4-dimethylenehexane
IUPAC Name: 3,4-dimethylidenehexane
SYSTEMATIC NAME: 3,4-dimethylidenehexane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCC(=C)C(=C)CC
Structure:
CAS RN: 16355-69-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: HNO
MOLECULAR WEIGHT: 32.020202
SMILES: [2H]N=O
Structure:
CAS RN: 16339-29-0
CAS Name: dichloro(propoxy)borane
OPENEYE Name: dichloro(propoxy)borane
IUPAC Name: dichloro(propoxy)borane
SYSTEMATIC NAME: bis(chloranyl)-propoxy-borane
MOLECULAR FORMULA: C3H7BCl2O
MOLECULAR WEIGHT: 140.80408
SMILES: B(OCCC)(Cl)Cl
Structure:
CAS RN: 16339-28-9
CAS Name: dichloro(ethoxy)borane
OPENEYE Name: dichloro(ethoxy)borane
IUPAC Name: dichloro(ethoxy)borane
SYSTEMATIC NAME: bis(chloranyl)-ethoxy-borane
MOLECULAR FORMULA: C2H5BCl2O
MOLECULAR WEIGHT: 126.7775
SMILES: B(OCC)(Cl)Cl
Structure:
CAS RN: 16332-06-2
CAS Name: 2-methoxyacetamide
OPENEYE Name: 2-methoxyacetamide
IUPAC Name: 2-methoxyacetamide
SYSTEMATIC NAME: 2-methoxyethanamide
MOLECULAR FORMULA: C3H7NO2
MOLECULAR WEIGHT: 89.09318
SMILES: COCC(=O)N
Structure:
CAS RN: 16331-46-7
CAS Name: 4-ethoxybenzoyl chloride
OPENEYE Name: 4-ethoxybenzoyl chloride
IUPAC Name: 4-ethoxybenzoyl chloride
SYSTEMATIC NAME: 4-ethoxybenzoyl chloride
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CCOC1=CC=C(C=C1)C(=O)Cl
Structure:
CAS RN: 16330-21-5
CAS Name: 1-(ethenylthio)propane
OPENEYE Name: 1-vinylsulfanylpropane
IUPAC Name: 1-ethenylsulfanylpropane
SYSTEMATIC NAME: 1-ethenylsulfanylpropane
MOLECULAR FORMULA: C5H10S
MOLECULAR WEIGHT: 102.1979
SMILES: CCCSC=C
Structure:
CAS RN: 16330-03-3
CAS Name: 4-chloro-N-methyl-3-nitroaniline
OPENEYE Name: 4-chloro-N-methyl-3-nitro-aniline
IUPAC Name: 4-chloro-N-methyl-3-nitroaniline
SYSTEMATIC NAME: 4-chloranyl-N-methyl-3-nitro-aniline
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: CNC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Structure:
CAS RN: 16325-22-7
CAS Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
OPENEYE Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
IUPAC Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-methyl-7-oxabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC1CC2CCC1O2
Structure:
CAS RN: 16325-23-8
CAS Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
OPENEYE Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
IUPAC Name: 3-methyl-7-oxabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-methyl-7-oxabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC1CC2CCC1O2
Structure:
CAS RN: 16282-67-0
CAS Name: hypofluorous acid [difluoro(fluorooxy)methyl] ester
OPENEYE Name: [difluoro(fluorooxy)methyl] hypofluorite
IUPAC Name: [difluoro(fluorooxy)methyl] hypofluorite
SYSTEMATIC NAME: [bis(fluoranyl)-fluoranyloxy-methyl] hypofluorite
MOLECULAR FORMULA: CF4O2
MOLECULAR WEIGHT: 120.003113
SMILES: C(OF)(OF)(F)F
Structure:
CAS RN: 16273-79-3
CAS Name: N',N'-diethyl-1-(2-pyridinyl)propane-1,3-diamine
OPENEYE Name: N',N'-diethyl-1-(2-pyridyl)propane-1,3-diamine
IUPAC Name: N',N'-diethyl-1-pyridin-2-ylpropane-1,3-diamine
SYSTEMATIC NAME: N',N'-diethyl-1-pyridin-2-yl-propane-1,3-diamine
MOLECULAR FORMULA: C12H21N3
MOLECULAR WEIGHT: 207.31524
SMILES: CCN(CC)CCC(C1=CC=CC=N1)N
Structure:
CAS RN: 16269-13-9
CAS Name: 2-(1-adamantyl)acetonitrile
OPENEYE Name: 2-(1-adamantyl)acetonitrile
IUPAC Name: 2-(1-adamantyl)acetonitrile
SYSTEMATIC NAME: 2-(1-adamantyl)ethanenitrile
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: C1C2CC3CC1CC(C2)(C3)CC#N
Structure:
CAS RN: 16264-67-8
CAS Name: 4,5,6,7-tetrafluoro-1H-indole
OPENEYE Name: 4,5,6,7-tetrafluoro-1H-indole
IUPAC Name: 4,5,6,7-tetrafluoro-1H-indole
SYSTEMATIC NAME: 4,5,6,7-tetrakis(fluoranyl)-1H-indole
MOLECULAR FORMULA: C8H3F4N
MOLECULAR WEIGHT: 189.109733
SMILES: C1=CNC2=C1C(=C(C(=C2F)F)F)F
Structure:
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