CAS RN: 4100-27-0
CAS Name: 2-(1,2-dihydroacenaphthylen-1-yl)propanedioic acid
OPENEYE Name: 2-(1,2-dihydroacenaphthylen-1-yl)propanedioic acid
IUPAC Name: 2-(1,2-dihydroacenaphthylen-1-yl)propanedioic acid
SYSTEMATIC NAME: 2-(1,2-dihydroacenaphthylen-1-yl)propanedioic acid
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: C1C(C2=CC=CC3=C2C1=CC=C3)C(C(=O)O)C(=O)O
Structure:
CAS RN: 81756-94-7
CAS Name: 1-(6-acetyl-1,2-dihydroacenaphthylen-5-yl)ethanone
OPENEYE Name: 1-(6-acetyl-1,2-dihydroacenaphthylen-5-yl)ethanone
IUPAC Name: 1-(6-acetyl-1,2-dihydroacenaphthylen-5-yl)ethanone
SYSTEMATIC NAME: 1-(6-ethanoyl-1,2-dihydroacenaphthylen-5-yl)ethanone
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC(=O)C1=C2C(=CC=C3C2=C(CC3)C=C1)C(=O)C
Structure:
CAS RN: 61631-80-9
CAS Name: 6-nitro-1,2-dihydroacenaphthylen-5-amine
OPENEYE Name: 6-nitro-1,2-dihydroacenaphthylen-5-amine
IUPAC Name: 6-nitro-1,2-dihydroacenaphthylen-5-amine
SYSTEMATIC NAME: 6-nitro-1,2-dihydroacenaphthylen-5-amine
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1CC2=CC=C(C3=C(C=CC1=C23)N)[N+](=O)[O-]
Structure:
CAS RN: 65148-06-3
CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid
OPENEYE Name: 3-[N-(p-tolylsulfonyl)anilino]propanoic acid
IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid
SYSTEMATIC NAME: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoic acid
MOLECULAR FORMULA: C16H17NO4S
MOLECULAR WEIGHT: 319.37548
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 76583-06-7
CAS Name: 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
OPENEYE Name: 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
IUPAC Name: 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
SYSTEMATIC NAME: 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethanone
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CC(=O)C1=C2C(=CC=C3C2=C(CC3)C=C1)[N+](=O)[O-]
Structure:
CAS RN: 2917-60-4
CAS Name: 1,4-thiazepan-5-one
OPENEYE Name: 1,4-thiazepan-5-one
IUPAC Name: 1,4-thiazepan-5-one
SYSTEMATIC NAME: 1,4-thiazepan-5-one
MOLECULAR FORMULA: C5H9NOS
MOLECULAR WEIGHT: 131.19606
SMILES: C1CSCCNC1=O
Structure:
CAS RN: 7250-66-0
CAS Name: 5-(2-chlorophenyl)imino-2-furanone
OPENEYE Name: 5-(2-chlorophenyl)iminofuran-2-one
IUPAC Name: 5-(2-chlorophenyl)iminofuran-2-one
SYSTEMATIC NAME: 5-(2-chlorophenyl)iminofuran-2-one
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC=C(C(=C1)N=C2C=CC(=O)O2)Cl
Structure:
CAS RN: 82846-51-3
CAS Name: 5-(4-hydroxyphenyl)imino-2-furanone
OPENEYE Name: 5-(4-hydroxyphenyl)iminofuran-2-one
IUPAC Name: 5-(4-hydroxyphenyl)iminofuran-2-one
SYSTEMATIC NAME: 5-(4-hydroxyphenyl)iminofuran-2-one
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC(=CC=C1N=C2C=CC(=O)O2)O
Structure:
CAS RN: 5686-61-3
CAS Name: 3-tert-butylimino-1-isobenzofuranone
OPENEYE Name: 3-tert-butyliminoisobenzofuran-1-one
IUPAC Name: 3-tert-butylimino-2-benzofuran-1-one
SYSTEMATIC NAME: 3-tert-butylimino-2-benzofuran-1-one
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC(C)(C)N=C1C2=CC=CC=C2C(=O)O1
Structure:
CAS RN: 20082-71-7
CAS Name: 5-(4-chlorophenyl)imino-2-furanone
OPENEYE Name: 5-(4-chlorophenyl)iminofuran-2-one
IUPAC Name: 5-(4-chlorophenyl)iminofuran-2-one
SYSTEMATIC NAME: 5-(4-chlorophenyl)iminofuran-2-one
MOLECULAR FORMULA: C10H6ClNO2
MOLECULAR WEIGHT: 207.61314
SMILES: C1=CC(=CC=C1N=C2C=CC(=O)O2)Cl
Structure:
CAS RN: 20082-91-1
CAS Name: 5-(4-acetylphenyl)imino-2-furanone
OPENEYE Name: 5-(4-acetylphenyl)iminofuran-2-one
IUPAC Name: 5-(4-acetylphenyl)iminofuran-2-one
SYSTEMATIC NAME: 5-(4-ethanoylphenyl)iminofuran-2-one
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: CC(=O)C1=CC=C(C=C1)N=C2C=CC(=O)O2
Structure:
CAS RN: 2007-69-4
CAS Name: 5-(4-methylphenyl)imino-2-furanone
OPENEYE Name: 5-(p-tolylimino)furan-2-one
IUPAC Name: 5-(4-methylphenyl)iminofuran-2-one
SYSTEMATIC NAME: 5-(4-methylphenyl)iminofuran-2-one
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=CC=C(C=C1)N=C2C=CC(=O)O2
Structure:
CAS RN: 51077-01-1
CAS Name: 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenylurea; ethanesulfonic acid
OPENEYE Name: 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenyl-urea; ethanesulfonic acid
IUPAC Name: 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenylurea; ethanesulfonic acid
SYSTEMATIC NAME: 1-[[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]methyl]-3-phenyl-urea; ethanesulfonic acid
MOLECULAR FORMULA: C21H29N7O4S
MOLECULAR WEIGHT: 475.56446
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CNC(=O)NC3=CC=CC=C3)N)N)C
Structure:
CAS RN: 32602-08-7
CAS Name: 2,3-bis(iodomethyl)-6-methoxyquinoxaline
OPENEYE Name: 2,3-bis(iodomethyl)-6-methoxy-quinoxaline
IUPAC Name: 2,3-bis(iodomethyl)-6-methoxyquinoxaline
SYSTEMATIC NAME: 2,3-bis(iodanylmethyl)-6-methoxy-quinoxaline
MOLECULAR FORMULA: C11H10I2N2O
MOLECULAR WEIGHT: 440.01884
SMILES: COC1=CC2=C(C=C1)N=C(C(=N2)CI)CI
Structure:
CAS RN: 62235-61-4
CAS Name: 3-(bromomethyl)-1H-quinoxalin-2-one
OPENEYE Name: 3-(bromomethyl)-1H-quinoxalin-2-one
IUPAC Name: 3-(bromomethyl)-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-(bromomethyl)-1H-quinoxalin-2-one
MOLECULAR FORMULA: C9H7BrN2O
MOLECULAR WEIGHT: 239.06868
SMILES: C1=CC=C2C(=C1)NC(=O)C(=N2)CBr
Structure:
CAS RN: 468-19-9
CAS Name: 3-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[10-(hydroxymethyl)-13-methyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)CO
Structure:
CAS RN: 4124-87-2
CAS Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxyphenyl)sulfonyl-1-propoxybenzene
OPENEYE Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene
IUPAC Name: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxyphenyl)sulfonyl-1-propoxybenzene
SYSTEMATIC NAME: 2-isothiocyanato-4-(3-isothiocyanato-4-propoxy-phenyl)sulfonyl-1-propoxy-benzene
MOLECULAR FORMULA: C20H20N2O4S3
MOLECULAR WEIGHT: 448.5788
SMILES: CCCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCCC)N=C=S)N=C=S
Structure:
CAS RN: 4125-23-9
CAS Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-phenyl-1-piperazinyl)phenyl]sulfonylphenyl]-4-phenylpiperazine
OPENEYE Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-phenylpiperazin-1-yl)phenyl]sulfonyl-phenyl]-4-phenyl-piperazine
IUPAC Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-phenylpiperazin-1-yl)phenyl]sulfonylphenyl]-4-phenylpiperazine
SYSTEMATIC NAME: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-phenylpiperazin-1-yl)phenyl]sulfonyl-phenyl]-4-phenyl-piperazine
MOLECULAR FORMULA: C34H32N6O2S3
MOLECULAR WEIGHT: 652.85188
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)N5CCN(CC5)C6=CC=CC=C6)N=C=S)N=C=S
Structure:
CAS RN: 41244-59-1
CAS Name: 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfonyl-4-isothiocyanatobenzene
OPENEYE Name: 2-chloro-1-(2-chloro-4-isothiocyanato-phenyl)sulfonyl-4-isothiocyanato-benzene
IUPAC Name: 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfonyl-4-isothiocyanatobenzene
SYSTEMATIC NAME: 2-chloranyl-1-(2-chloranyl-4-isothiocyanato-phenyl)sulfonyl-4-isothiocyanato-benzene
MOLECULAR FORMULA: C14H6Cl2N2O2S3
MOLECULAR WEIGHT: 401.31064
SMILES: C1=CC(=C(C=C1N=C=S)Cl)S(=O)(=O)C2=C(C=C(C=C2)N=C=S)Cl
Structure:
CAS RN: 41250-44-6
CAS Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-methyl-1-piperazinyl)phenyl]sulfonylphenyl]-4-methylpiperazine
OPENEYE Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylpiperazin-1-yl)phenyl]sulfonyl-phenyl]-4-methyl-piperazine
IUPAC Name: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylpiperazin-1-yl)phenyl]sulfonyl-phenyl]-4-methyl-piperazine
MOLECULAR FORMULA: C24H28N6O2S3
MOLECULAR WEIGHT: 528.71312
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)N=C=S)N=C=S
Structure:
CAS RN: 39835-14-8
CAS Name: 2-hydroxy-4-nitrobenzonitrile
OPENEYE Name: 2-hydroxy-4-nitro-benzonitrile
IUPAC Name: 2-hydroxy-4-nitrobenzonitrile
SYSTEMATIC NAME: 4-nitro-2-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H4N2O3
MOLECULAR WEIGHT: 164.11826
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)C#N
Structure:
CAS RN: 13070-33-2
CAS Name: 2-[bis(dimethylamino)phosphoryl]-N-phenyl-5-propan-2-yl-1,2,4-triazol-3-amine
OPENEYE Name: 2-[bis(dimethylamino)phosphoryl]-5-isopropyl-N-phenyl-1,2,4-triazol-3-amine
IUPAC Name: 2-[bis(dimethylamino)phosphoryl]-N-phenyl-5-propan-2-yl-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 2-[bis(dimethylamino)phosphoryl]-N-phenyl-5-propan-2-yl-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C15H25N6OP
MOLECULAR WEIGHT: 336.372361
SMILES: CC(C)C1=NN(C(=N1)NC2=CC=CC=C2)P(=O)(N(C)C)N(C)C
Structure:
CAS RN: 3873-78-7
CAS Name: 1,2,3,4,7,7-hexabromo-5-phenylbicyclo[2.2.1]hept-2-ene
OPENEYE Name: 1,2,3,4,7,7-hexabromo-5-phenyl-bicyclo[2.2.1]hept-2-ene
IUPAC Name: 1,2,3,4,7,7-hexabromo-5-phenylbicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 1,2,3,4,7,7-hexakis(bromanyl)-5-phenyl-bicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C13H8Br6
MOLECULAR WEIGHT: 643.62662
SMILES: C1C(C2(C(=C(C1(C2(Br)Br)Br)Br)Br)Br)C3=CC=CC=C3
Structure:
CAS RN: 18283-05-1
CAS Name: 1,4,7-trichlorobicyclo[2.2.1]heptane
OPENEYE Name: 1,4,7-trichloronorbornane
IUPAC Name: 1,4,7-trichlorobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 1,4,7-tris(chloranyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H9Cl3
MOLECULAR WEIGHT: 199.50536
SMILES: C1CC2(CCC1(C2Cl)Cl)Cl
Structure:
CAS RN: 18283-06-2
CAS Name: 1,4,7,7-tetrachlorobicyclo[2.2.1]heptane
OPENEYE Name: 1,4,7,7-tetrachloronorbornane
IUPAC Name: 1,4,7,7-tetrachlorobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 1,4,7,7-tetrakis(chloranyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H8Cl4
MOLECULAR WEIGHT: 233.95042
SMILES: C1CC2(CCC1(C2(Cl)Cl)Cl)Cl
Structure:
CAS RN: 38667-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10Cl4O4
MOLECULAR WEIGHT: 372.0281
SMILES: COC1(C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)C=CC3=O)Cl)OC
Structure:
CAS RN: 25236-60-6
CAS Name: methanesulfonic acid 1-adamantyl ester
OPENEYE Name: 1-adamantyl methanesulfonate
IUPAC Name: 1-adamantyl methanesulfonate
SYSTEMATIC NAME: 1-adamantyl methanesulfonate
MOLECULAR FORMULA: C11H18O3S
MOLECULAR WEIGHT: 230.32382
SMILES: CS(=O)(=O)OC12CC3CC(C1)CC(C3)C2
Structure:
CAS RN: 87-21-8
CAS Name: cyclopentylimino(triphenyl)phosphorane
OPENEYE Name: cyclopentylimino(triphenyl)-$l^{5}-phosphane
IUPAC Name: cyclopentylimino(triphenyl)-$l^{5}-phosphane
SYSTEMATIC NAME: cyclopentylimino(triphenyl)-$l^{5}-phosphane
MOLECULAR FORMULA: C23H24NP
MOLECULAR WEIGHT: 345.417121
SMILES: C1CCC(C1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 87219-29-2
CAS Name: cycloheptylimino(triphenyl)phosphorane
OPENEYE Name: cycloheptylimino(triphenyl)-$l^{5}-phosphane
IUPAC Name: cycloheptylimino(triphenyl)-$l^{5}-phosphane
SYSTEMATIC NAME: cycloheptylimino(triphenyl)-$l^{5}-phosphane
MOLECULAR FORMULA: C25H28NP
MOLECULAR WEIGHT: 373.470281
SMILES: C1CCCC(CC1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 27466-71-3
CAS Name: 1-(4-isoquinolinyl)-2-methyl-1-propanol
OPENEYE Name: 1-(4-isoquinolyl)-2-methyl-propan-1-ol
IUPAC Name: 1-isoquinolin-4-yl-2-methylpropan-1-ol
SYSTEMATIC NAME: 1-isoquinolin-4-yl-2-methyl-propan-1-ol
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC(C)C(C1=CN=CC2=CC=CC=C21)O
Structure:
CAS RN: 69396-13-0
CAS Name: 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C17H13N3O3S
MOLECULAR WEIGHT: 339.36842
SMILES: COC1=CC2=C(C=C1)N=C(S2)NCN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 14937-71-4
CAS Name: 1-[2-nitro-4-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylphenyl]pyrrolidine
OPENEYE Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-phenyl]pyrrolidine
IUPAC Name: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylphenyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-nitro-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-phenyl]pyrrolidine
MOLECULAR FORMULA: C20H22N4O6S
MOLECULAR WEIGHT: 446.47688
SMILES: C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 42021-16-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H17N3
MOLECULAR WEIGHT: 227.30488
SMILES: C1CN2CC3=C(CC2CN1)C4=CC=CC=C4N3
Structure:
CAS RN: 36491-26-6
CAS Name: 7-thiadiazolo[5,4-b]pyridinamine
OPENEYE Name: thiadiazolo[5,4-b]pyridin-7-amine
IUPAC Name: thiadiazolo[5,4-b]pyridin-7-amine
SYSTEMATIC NAME: [1,2,3]thiadiazolo[5,4-b]pyridin-7-amine
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=CN=C2C(=C1N)N=NS2
Structure:
CAS RN: 51028-41-2
CAS Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(1-pyrrolidinyl)methanone; ethanesulfonic acid
OPENEYE Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-pyrrolidin-1-yl-methanone; ethanesulfonic acid
IUPAC Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone; ethanesulfonic acid
SYSTEMATIC NAME: [3-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]phenyl]-pyrrolidin-1-yl-methanone; ethanesulfonic acid
MOLECULAR FORMULA: C25H33ClN6O5S
MOLECULAR WEIGHT: 565.08472
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)N4CCCC4)Cl)N)N)C
Structure:
CAS RN: 27704-02-5
CAS Name: 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene
OPENEYE Name: 1-[bis(4-isopropylphenyl)methyl]-4-isopropyl-benzene
IUPAC Name: 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-yl-benzene
MOLECULAR FORMULA: C28H34
MOLECULAR WEIGHT: 370.56956
SMILES: CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)C(C)C
Structure:
CAS RN: 27089-57-2
CAS Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2-methylprop-1-enyl]benzene
OPENEYE Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2-methyl-prop-1-enyl]benzene
IUPAC Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2-methylprop-1-enyl]benzene
SYSTEMATIC NAME: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2-methyl-prop-1-enyl]benzene
MOLECULAR FORMULA: C24H32
MOLECULAR WEIGHT: 320.51088
SMILES: CC(=C(C1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C
Structure:
CAS RN: 62026-02-2
CAS Name: 1,5,5-tricyclopropyl-5-hydroxy-1-pentanone
OPENEYE Name: 1,5,5-tricyclopropyl-5-hydroxy-pentan-1-one
IUPAC Name: 1,5,5-tricyclopropyl-5-hydroxypentan-1-one
SYSTEMATIC NAME: 1,5,5-tricyclopropyl-5-oxidanyl-pentan-1-one
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: C1CC1C(=O)CCCC(C2CC2)(C3CC3)O
Structure:
CAS RN: 1643-48-7
CAS Name: 9-[(2-bromophenyl)methylidene]fluorene
OPENEYE Name: 9-[(2-bromophenyl)methylene]fluorene
IUPAC Name: 9-[(2-bromophenyl)methylidene]fluorene
SYSTEMATIC NAME: 9-[(2-bromophenyl)methylidene]fluorene
MOLECULAR FORMULA: C20H13Br
MOLECULAR WEIGHT: 333.22122
SMILES: C1=CC=C(C(=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42)Br
Structure:
CAS RN: 93107-45-0
CAS Name: 1,4-dibromo-2,3,5,6-tetraethylbenzene
OPENEYE Name: 1,4-dibromo-2,3,5,6-tetraethyl-benzene
IUPAC Name: 1,4-dibromo-2,3,5,6-tetraethylbenzene
SYSTEMATIC NAME: 1,4-bis(bromanyl)-2,3,5,6-tetraethyl-benzene
MOLECULAR FORMULA: C14H20Br2
MOLECULAR WEIGHT: 348.1166
SMILES: CCC1=C(C(=C(C(=C1Br)CC)CC)Br)CC
Structure:
CAS RN: 82048-29-1
CAS Name: 1,3,5-tribromo-2,4,6-triethylbenzene
OPENEYE Name: 1,3,5-tribromo-2,4,6-triethyl-benzene
IUPAC Name: 1,3,5-tribromo-2,4,6-triethylbenzene
SYSTEMATIC NAME: 1,3,5-tris(bromanyl)-2,4,6-triethyl-benzene
MOLECULAR FORMULA: C12H15Br3
MOLECULAR WEIGHT: 398.9595
SMILES: CCC1=C(C(=C(C(=C1Br)CC)Br)CC)Br
Structure:
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