CAS RN: 16716-11-3
CAS Name: 1-phenyl-3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
OPENEYE Name: 1-phenyl-3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
IUPAC Name: 1-phenyl-3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
SYSTEMATIC NAME: 1-phenyl-3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
MOLECULAR FORMULA: C48H34
MOLECULAR WEIGHT: 610.78356
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC=CC(=C5)C6=CC=CC(=C6)C7=CC=CC(=C7)C8=CC=CC=C8
Structure:
CAS RN: 16696-68-7
CAS Name: 1-phenylethanethione
OPENEYE Name: 1-phenylethanethione
IUPAC Name: 1-phenylethanethione
SYSTEMATIC NAME: 1-phenylethanethione
MOLECULAR FORMULA: C8H8S
MOLECULAR WEIGHT: 136.21412
SMILES: CC(=S)C1=CC=CC=C1
Structure:
CAS RN: 16681-78-0
CAS Name: 2-methyltetrazole
OPENEYE Name: 2-methyltetrazole
IUPAC Name: 2-methyltetrazole
SYSTEMATIC NAME: 2-methyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C2H4N4
MOLECULAR WEIGHT: 84.07996
SMILES: CN1N=CN=N1
Structure:
CAS RN: 16681-77-9
CAS Name: 1-methyltetrazole
OPENEYE Name: 1-methyltetrazole
IUPAC Name: 1-methyltetrazole
SYSTEMATIC NAME: 1-methyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C2H4N4
MOLECULAR WEIGHT: 84.07996
SMILES: CN1C=NN=N1
Structure:
CAS RN: 16681-73-5
CAS Name: 3-bromo-4-methyl-1,2,4-triazole
OPENEYE Name: 3-bromo-4-methyl-1,2,4-triazole
IUPAC Name: 3-bromo-4-methyl-1,2,4-triazole
SYSTEMATIC NAME: 3-bromanyl-4-methyl-1,2,4-triazole
MOLECULAR FORMULA: C3H4BrN3
MOLECULAR WEIGHT: 161.98796
SMILES: CN1C=NN=C1Br
Structure:
CAS RN: 16681-72-4
CAS Name: 5-bromo-1-methyl-1,2,4-triazole
OPENEYE Name: 5-bromo-1-methyl-1,2,4-triazole
IUPAC Name: 5-bromo-1-methyl-1,2,4-triazole
SYSTEMATIC NAME: 5-bromanyl-1-methyl-1,2,4-triazole
MOLECULAR FORMULA: C3H4BrN3
MOLECULAR WEIGHT: 161.98796
SMILES: CN1C(=NC=N1)Br
Structure:
CAS RN: 16681-70-2
CAS Name: 2H-triazole-4-carboxylic acid
OPENEYE Name: 2H-triazole-4-carboxylic acid
IUPAC Name: 2H-triazole-4-carboxylic acid
SYSTEMATIC NAME: 2H-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C3H3N3O2
MOLECULAR WEIGHT: 113.07482
SMILES: C1=NNN=C1C(=O)O
Structure:
CAS RN: 16681-65-5
CAS Name: 1-methyltriazole
OPENEYE Name: 1-methyltriazole
IUPAC Name: 1-methyltriazole
SYSTEMATIC NAME: 1-methyl-1,2,3-triazole
MOLECULAR FORMULA: C3H5N3
MOLECULAR WEIGHT: 83.0919
SMILES: CN1C=CN=N1
Structure:
CAS RN: 16668-83-0
CAS Name: 2-fluoroadamantane
OPENEYE Name: 2-fluoroadamantane
IUPAC Name: 2-fluoroadamantane
SYSTEMATIC NAME: 2-fluoranyladamantane
MOLECULAR FORMULA: C10H15F
MOLECULAR WEIGHT: 154.224503
SMILES: C1C2CC3CC1CC(C2)C3F
Structure:
CAS RN: 16666-80-1
CAS Name: triphenyl(propan-2-ylidene)phosphorane
OPENEYE Name: isopropylidene(triphenyl)-$l^{5}-phosphane
IUPAC Name: triphenyl(propan-2-ylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl(propan-2-ylidene)-$l^{5}-phosphane
MOLECULAR FORMULA: C21H21P
MOLECULAR WEIGHT: 304.365201
SMILES: CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 16647-05-5
CAS Name: 6,10-dimethyl-2-undeca-4,5,9-trienone
OPENEYE Name: 6,10-dimethylundeca-4,5,9-trien-2-one
IUPAC Name: 6,10-dimethylundeca-4,5,9-trien-2-one
SYSTEMATIC NAME: 6,10-dimethylundeca-4,5,9-trien-2-one
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: CC(=CCCC(=C=CCC(=O)C)C)C
Structure:
CAS RN: 16643-15-5
CAS Name: (methylthio)silane
OPENEYE Name: methylsulfanylsilane
IUPAC Name: methylsulfanylsilane
SYSTEMATIC NAME: methylsulfanylsilane
MOLECULAR FORMULA: CH6SSi
MOLECULAR WEIGHT: 78.20884
SMILES: CS[SiH3]
Structure:
CAS RN: 16642-57-2
CAS Name: 2-propan-2-yldioxypropane
OPENEYE Name: 2-isopropylperoxypropane
IUPAC Name: 2-propan-2-ylperoxypropane
SYSTEMATIC NAME: 2-propan-2-ylperoxypropane
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(C)OOC(C)C
Structure:
CAS RN: 16636-62-7
CAS Name: 1-(2-hydroxyphenyl)butane-1,3-dione
OPENEYE Name: 1-(2-hydroxyphenyl)butane-1,3-dione
IUPAC Name: 1-(2-hydroxyphenyl)butane-1,3-dione
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)butane-1,3-dione
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CC(=O)CC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 16624-68-3
CAS Name: (2S)-2-acetamido-4-methylpentanamide
OPENEYE Name: (2S)-2-acetamido-4-methyl-pentanamide
IUPAC Name: (2S)-2-acetamido-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-acetamido-4-methyl-pentanamide
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CC(C)C[C@@H](C(=O)N)NC(=O)C
Structure:
CAS RN: 16609-28-2
CAS Name: 1,5,5-trimethyl-3-methylenecyclohexene
OPENEYE Name: 1,5,5-trimethyl-3-methylene-cyclohexene
IUPAC Name: 1,5,5-trimethyl-3-methylidenecyclohexene
SYSTEMATIC NAME: 1,5,5-trimethyl-3-methylidene-cyclohexene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: CC1=CC(=C)CC(C1)(C)C
Structure:
CAS RN: 16567-18-3
CAS Name: 8-bromoquinoline
OPENEYE Name: 8-bromoquinoline
IUPAC Name: 8-bromoquinoline
SYSTEMATIC NAME: 8-bromanylquinoline
MOLECULAR FORMULA: C9H6BrN
MOLECULAR WEIGHT: 208.05464
SMILES: C1=CC2=C(C(=C1)Br)N=CC=C2
Structure:
CAS RN: 16544-95-9
CAS Name: (silylthio)silane
OPENEYE Name: silylsulfanylsilane
IUPAC Name: silylsulfanylsilane
SYSTEMATIC NAME: silanylsulfanylsilane
MOLECULAR FORMULA: H6SSi2
MOLECULAR WEIGHT: 94.28364
SMILES: [SiH3]S[SiH3]
Structure:
CAS RN: 16528-92-0
CAS Name: 1,3,5,7,9-pentaoxecane
OPENEYE Name: 1,3,5,7,9-pentaoxecane
IUPAC Name: 1,3,5,7,9-pentaoxecane
SYSTEMATIC NAME: 1,3,5,7,9-pentaoxecane
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1OCOCOCOCO1
Structure:
CAS RN: 16526-27-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CC2CC1C3C2CC3
Structure:
CAS RN: 16526-28-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CC2CC1C3C2CC3
Structure:
CAS RN: 16520-04-0
CAS Name: methoxymethane
OPENEYE Name: methoxymethane
IUPAC Name: methoxymethane
SYSTEMATIC NAME: methoxymethane
MOLECULAR FORMULA: C2H5O
MOLECULAR WEIGHT: 45.0605
SMILES: CO[CH2]
Structure:
CAS RN: 16519-97-4
CAS Name: bromomethane
OPENEYE Name: bromomethane
IUPAC Name: bromomethane
SYSTEMATIC NAME: bromanylmethane
MOLECULAR FORMULA: CH2Br
MOLECULAR WEIGHT: 93.93058
SMILES: [CH2]Br
Structure:
CAS RN: 16518-62-0
CAS Name: 3-bromo-N,N-dimethylaniline
OPENEYE Name: 3-bromo-N,N-dimethyl-aniline
IUPAC Name: 3-bromo-N,N-dimethylaniline
SYSTEMATIC NAME: 3-bromanyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: CN(C)C1=CC(=CC=C1)Br
Structure:
CAS RN: 16513-72-7
CAS Name: benzoic acid (4-cyanophenyl) ester
OPENEYE Name: (4-cyanophenyl) benzoate
IUPAC Name: (4-cyanophenyl) benzoate
SYSTEMATIC NAME: (4-cyanophenyl) benzoate
MOLECULAR FORMULA: C14H9NO2
MOLECULAR WEIGHT: 223.22676
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 16513-60-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9N
MOLECULAR WEIGHT: 167.20656
SMILES: C1C2C=CC1C3=C2C=CC(=C3)C#N
Structure:
CAS RN: 16508-33-1
CAS Name: 4-tert-butyl-2-chloro-1-cyclohexanone
OPENEYE Name: 4-tert-butyl-2-chloro-cyclohexanone
IUPAC Name: 4-tert-butyl-2-chlorocyclohexan-1-one
SYSTEMATIC NAME: 4-tert-butyl-2-chloranyl-cyclohexan-1-one
MOLECULAR FORMULA: C10H17ClO
MOLECULAR WEIGHT: 188.69438
SMILES: CC(C)(C)C1CCC(=O)C(C1)Cl
Structure:
CAS RN: 36041-76-6
CAS Name: 4-tert-butyl-2-chloro-1-cyclohexanone
OPENEYE Name: 4-tert-butyl-2-chloro-cyclohexanone
IUPAC Name: 4-tert-butyl-2-chlorocyclohexan-1-one
SYSTEMATIC NAME: 4-tert-butyl-2-chloranyl-cyclohexan-1-one
MOLECULAR FORMULA: C10H17ClO
MOLECULAR WEIGHT: 188.69438
SMILES: CC(C)(C)C1CCC(=O)C(C1)Cl
Structure:
CAS RN: 16499-18-6
CAS Name: 1-$l^{1}-oxidanylpropane
OPENEYE Name: 1-$l^{1}-oxidanylpropane
IUPAC Name: 1-$l^{1}-oxidanylpropane
SYSTEMATIC NAME: 1-$l^{1}-oxidanylpropane
MOLECULAR FORMULA: C3H7O
MOLECULAR WEIGHT: 59.08708
SMILES: CCC[O]
Structure:
CAS RN: 16498-05-8
CAS Name: 6-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-4-hexyn-3-ol
OPENEYE Name: 6-[2-(diisopropylamino)ethoxy]-3-methyl-hex-4-yn-3-ol
IUPAC Name: 6-[2-[di(propan-2-yl)amino]ethoxy]-3-methylhex-4-yn-3-ol
SYSTEMATIC NAME: 6-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-hex-4-yn-3-ol
MOLECULAR FORMULA: C15H29NO2
MOLECULAR WEIGHT: 255.39626
SMILES: CCC(C)(C#CCOCCN(C(C)C)C(C)C)O
Structure:
CAS RN: 16494-36-3
CAS Name: 2-iodo-5-methylthiophene
OPENEYE Name: 2-iodo-5-methyl-thiophene
IUPAC Name: 2-iodo-5-methylthiophene
SYSTEMATIC NAME: 2-iodanyl-5-methyl-thiophene
MOLECULAR FORMULA: C5H5IS
MOLECULAR WEIGHT: 224.06267
SMILES: CC1=CC=C(S1)I
Structure:
CAS RN: 16489-00-2
CAS Name: 2-methyl-5-[2-(1-piperidinyl)ethoxy]-3-pentyn-2-ol
OPENEYE Name: 2-methyl-5-[2-(1-piperidyl)ethoxy]pent-3-yn-2-ol
IUPAC Name: 2-methyl-5-(2-piperidin-1-ylethoxy)pent-3-yn-2-ol
SYSTEMATIC NAME: 2-methyl-5-(2-piperidin-1-ylethoxy)pent-3-yn-2-ol
MOLECULAR FORMULA: C13H23NO2
MOLECULAR WEIGHT: 225.32722
SMILES: CC(C)(C#CCOCCN1CCCCC1)O
Structure:
CAS RN: 16488-99-6
CAS Name: 5-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-3-pentyn-2-ol
OPENEYE Name: 5-[2-(diisopropylamino)ethoxy]-2-methyl-pent-3-yn-2-ol
IUPAC Name: 5-[2-[di(propan-2-yl)amino]ethoxy]-2-methylpent-3-yn-2-ol
SYSTEMATIC NAME: 5-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-pent-3-yn-2-ol
MOLECULAR FORMULA: C14H27NO2
MOLECULAR WEIGHT: 241.36968
SMILES: CC(C)N(CCOCC#CC(C)(C)O)C(C)C
Structure:
CAS RN: 16488-98-5
CAS Name: 2-methyl-5-phenoxy-3-pentyn-2-ol
OPENEYE Name: 2-methyl-5-phenoxy-pent-3-yn-2-ol
IUPAC Name: 2-methyl-5-phenoxypent-3-yn-2-ol
SYSTEMATIC NAME: 2-methyl-5-phenoxy-pent-3-yn-2-ol
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CC(C)(C#CCOC1=CC=CC=C1)O
Structure:
CAS RN: 16487-68-6
CAS Name: octa-2,3-diene
OPENEYE Name: octa-2,3-diene
IUPAC Name: octa-2,3-diene
SYSTEMATIC NAME: octa-2,3-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCCCC=C=CC
Structure:
CAS RN: 16487-33-5
CAS Name: 3-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-methoxy-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CN1C2CCC1CC(C2)OC
Structure:
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