CAS RN: 39572-08-2
CAS Name: 4-chloro-2-phenoxy-1,3-benzothiazole
OPENEYE Name: 4-chloro-2-phenoxy-1,3-benzothiazole
IUPAC Name: 4-chloro-2-phenoxy-1,3-benzothiazole
SYSTEMATIC NAME: 4-chloranyl-2-phenoxy-1,3-benzothiazole
MOLECULAR FORMULA: C13H8ClNOS
MOLECULAR WEIGHT: 261.72672
SMILES: C1=CC=C(C=C1)OC2=NC3=C(S2)C=CC=C3Cl
Structure:
CAS RN: 39568-99-5
CAS Name: 1,2,4,5-tetrabromo-3,6-bis(bromomethyl)benzene
OPENEYE Name: 1,2,4,5-tetrabromo-3,6-bis(bromomethyl)benzene
IUPAC Name: 1,2,4,5-tetrabromo-3,6-bis(bromomethyl)benzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(bromanyl)-3,6-bis(bromomethyl)benzene
MOLECULAR FORMULA: C8H4Br6
MOLECULAR WEIGHT: 579.54136
SMILES: C(C1=C(C(=C(C(=C1Br)Br)CBr)Br)Br)Br
Structure:
CAS RN: 39568-98-4
CAS Name: 1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene
OPENEYE Name: 1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene
IUPAC Name: 1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(bromanyl)-3,6-bis(chloromethyl)benzene
MOLECULAR FORMULA: C8H4Br4Cl2
MOLECULAR WEIGHT: 490.63936
SMILES: C(C1=C(C(=C(C(=C1Br)Br)CCl)Br)Br)Cl
Structure:
CAS RN: 39562-58-8
CAS Name: 4,4-dimethoxy-2-butanol
OPENEYE Name: 4,4-dimethoxybutan-2-ol
IUPAC Name: 4,4-dimethoxybutan-2-ol
SYSTEMATIC NAME: 4,4-dimethoxybutan-2-ol
MOLECULAR FORMULA: C6H14O3
MOLECULAR WEIGHT: 134.17356
SMILES: CC(CC(OC)OC)O
Structure:
CAS RN: 39560-34-4
CAS Name: 4-(2-hydroxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(2-hydroxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(2-hydroxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(2-hydroxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1=CC=C(C(=C1)C(=O)CCC(=O)O)O
Structure:
CAS RN: 39556-41-7
CAS Name: hexanoic acid 2-hydroxypropyl ester
OPENEYE Name: 2-hydroxypropyl hexanoate
IUPAC Name: 2-hydroxypropyl hexanoate
SYSTEMATIC NAME: 2-oxidanylpropyl hexanoate
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CCCCCC(=O)OCC(C)O
Structure:
CAS RN: 39526-01-7
CAS Name: 2,4-dioxopentanoic acid propyl ester
OPENEYE Name: propyl 2,4-dioxopentanoate
IUPAC Name: propyl 2,4-dioxopentanoate
SYSTEMATIC NAME: propyl 2,4-bis(oxidanylidene)pentanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCCOC(=O)C(=O)CC(=O)C
Structure:
CAS RN: 39507-96-5
CAS Name: 2-(3,5-dimethoxyphenyl)-2-propanol
OPENEYE Name: 2-(3,5-dimethoxyphenyl)propan-2-ol
IUPAC Name: 2-(3,5-dimethoxyphenyl)propan-2-ol
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)propan-2-ol
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(C)(C1=CC(=CC(=C1)OC)OC)O
Structure:
CAS RN: 39489-75-3
CAS Name: carbonic acid bis(2,4-dichloro-5-nitrophenyl) ester
OPENEYE Name: bis(2,4-dichloro-5-nitro-phenyl) carbonate
IUPAC Name: bis(2,4-dichloro-5-nitrophenyl) carbonate
SYSTEMATIC NAME: bis[2,4-bis(chloranyl)-5-nitro-phenyl] carbonate
MOLECULAR FORMULA: C13H4Cl4N2O7
MOLECULAR WEIGHT: 441.99206
SMILES: C1=C(C(=CC(=C1OC(=O)OC2=C(C=C(C(=C2)[N+](=O)[O-])Cl)Cl)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 39481-55-5
CAS Name: 1-[10-(3-chloropropyl)-2-phenothiazinyl]ethanone
OPENEYE Name: 1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone
IUPAC Name: 1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone
SYSTEMATIC NAME: 1-[10-(3-chloranylpropyl)phenothiazin-2-yl]ethanone
MOLECULAR FORMULA: C17H16ClNOS
MOLECULAR WEIGHT: 317.83304
SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
Structure:
CAS RN: 39367-89-0
CAS Name: N-[2-(diethylamino)ethyl]-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzamide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzamide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzamide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)benzamide hydrochloride
MOLECULAR FORMULA: C25H37ClN2O
MOLECULAR WEIGHT: 417.02708
SMILES: CCN(CC)CCN(C1=C(C=C(C=C1C)C)C)C(=O)C2=C(C=C(C=C2C)C)C.Cl
Structure:
CAS RN: 39289-88-8
CAS Name: (3,5-dimethylphenyl) dihydrogen phosphate
OPENEYE Name: (3,5-dimethylphenyl) dihydrogen phosphate
IUPAC Name: (3,5-dimethylphenyl) dihydrogen phosphate
SYSTEMATIC NAME: (3,5-dimethylphenyl) dihydrogen phosphate
MOLECULAR FORMULA: C8H11O4P
MOLECULAR WEIGHT: 202.144301
SMILES: CC1=CC(=CC(=C1)OP(=O)(O)O)C
Structure:
CAS RN: 39268-96-7
CAS Name: 7,11-dimethyl-10-dodecen-3-one
OPENEYE Name: 7,11-dimethyldodec-10-en-3-one
IUPAC Name: 7,11-dimethyldodec-10-en-3-one
SYSTEMATIC NAME: 7,11-dimethyldodec-10-en-3-one
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CCC(=O)CCCC(C)CCC=C(C)C
Structure:
CAS RN: 39266-67-6
CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]propanedioate
IUPAC Name: dimethyl 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate
SYSTEMATIC NAME: dimethyl 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]propanedioate
MOLECULAR FORMULA: C35H52O6
MOLECULAR WEIGHT: 568.78378
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C(=O)OC)C(=O)OC
Structure:
CAS RN: 39265-84-4
CAS Name: heptadecanoic acid propan-2-yl ester
OPENEYE Name: isopropyl heptadecanoate
IUPAC Name: propan-2-yl heptadecanoate
SYSTEMATIC NAME: propan-2-yl heptadecanoate
MOLECULAR FORMULA: C20H40O2
MOLECULAR WEIGHT: 312.5304
SMILES: CCCCCCCCCCCCCCCCC(=O)OC(C)C
Structure:
CAS RN: 39263-33-7
CAS Name: N'-(4-chloro-2-cyanophenyl)-N,N-dimethylmethanimidamide
OPENEYE Name: N'-(4-chloro-2-cyano-phenyl)-N,N-dimethyl-formamidine
IUPAC Name: N'-(4-chloro-2-cyanophenyl)-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-(4-chloranyl-2-cyano-phenyl)-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C10H10ClN3
MOLECULAR WEIGHT: 207.6595
SMILES: CN(C)C=NC1=C(C=C(C=C1)Cl)C#N
Structure:
CAS RN: 39240-97-6
CAS Name: N-chloro-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
OPENEYE Name: N-chloro-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
IUPAC Name: N-chloro-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SYSTEMATIC NAME: N-chloranyl-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
MOLECULAR FORMULA: C11H11ClF3NO
MOLECULAR WEIGHT: 265.65935
SMILES: CC(C)C(=O)N(C1=CC=CC(=C1)C(F)(F)F)Cl
Structure:
CAS RN: 39234-82-7
CAS Name: 4-nitro-3-(trifluoromethyl)benzenethiol
OPENEYE Name: 4-nitro-3-(trifluoromethyl)benzenethiol
IUPAC Name: 4-nitro-3-(trifluoromethyl)benzenethiol
SYSTEMATIC NAME: 4-nitro-3-(trifluoromethyl)benzenethiol
MOLECULAR FORMULA: C7H4F3NO2S
MOLECULAR WEIGHT: 223.17237
SMILES: C1=CC(=C(C=C1S)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 39230-59-6
CAS Name: propanoic acid 3-methylpentyl ester
OPENEYE Name: 3-methylpentyl propanoate
IUPAC Name: 3-methylpentyl propanoate
SYSTEMATIC NAME: 3-methylpentyl propanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCC(C)CCOC(=O)CC
Structure:
CAS RN: 39221-60-8
CAS Name: 2-bromo-N,N-dimethylbutanamide
OPENEYE Name: 2-bromo-N,N-dimethyl-butanamide
IUPAC Name: 2-bromo-N,N-dimethylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N,N-dimethyl-butanamide
MOLECULAR FORMULA: C6H12BrNO
MOLECULAR WEIGHT: 194.06958
SMILES: CCC(C(=O)N(C)C)Br
Structure:
CAS RN: 39220-69-4
CAS Name: 1-bromo-4-butan-2-ylbenzene
OPENEYE Name: 1-bromo-4-sec-butyl-benzene
IUPAC Name: 1-bromo-4-butan-2-ylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-butan-2-yl-benzene
MOLECULAR FORMULA: C10H13Br
MOLECULAR WEIGHT: 213.11422
SMILES: CCC(C)C1=CC=C(C=C1)Br
Structure:
CAS RN: 39216-84-7
CAS Name: 2-(3-methoxypropylamino)ethanol
OPENEYE Name: 2-(3-methoxypropylamino)ethanol
IUPAC Name: 2-(3-methoxypropylamino)ethanol
SYSTEMATIC NAME: 2-(3-methoxypropylamino)ethanol
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: COCCCNCCO
Structure:
CAS RN: 39206-13-8
CAS Name: 2-chloro-6-cyclohexyl-4-nitrophenol
OPENEYE Name: 2-chloro-6-cyclohexyl-4-nitro-phenol
IUPAC Name: 2-chloro-6-cyclohexyl-4-nitrophenol
SYSTEMATIC NAME: 2-chloranyl-6-cyclohexyl-4-nitro-phenol
MOLECULAR FORMULA: C12H14ClNO3
MOLECULAR WEIGHT: 255.69746
SMILES: C1CCC(CC1)C2=CC(=CC(=C2O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 39190-09-5
CAS Name: 3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)isoxazole
OPENEYE Name: 3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)isoxazole
IUPAC Name: 3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)-1,2-oxazole
SYSTEMATIC NAME: 3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)-1,2-oxazole
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CC1=CCCC(C1C2=CC(=NO2)C)(C)C
Structure:
CAS RN: 39190-06-2
CAS Name: 3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)isoxazole
OPENEYE Name: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)isoxazole
IUPAC Name: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-1,2-oxazole
SYSTEMATIC NAME: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)-1,2-oxazole
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CC1=C(C(CCC1)(C)C)C2=CC(=NO2)C
Structure:
CAS RN: 39186-68-0
CAS Name: 2-carboxyethyl-bis(2-hydroxyethyl)-[3-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]propyl]ammonium hydroxide
OPENEYE Name: 2-carboxyethyl-bis(2-hydroxyethyl)-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]ammonium hydroxide
IUPAC Name: 2-carboxyethyl-bis(2-hydroxyethyl)-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]azanium hydroxide
SYSTEMATIC NAME: bis(2-hydroxyethyl)-(3-hydroxy-3-oxopropyl)-[3-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoylamino]propyl]azanium hydroxide
MOLECULAR FORMULA: C18H23F15N2O6
MOLECULAR WEIGHT: 648.361068
SMILES: C(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[N+](CCC(=O)O)(CCO)CCO.[OH-]
Structure:
CAS RN: 39179-00-5
CAS Name: N-ethyl-6-methyl-2-pyridinamine
OPENEYE Name: N-ethyl-6-methyl-pyridin-2-amine
IUPAC Name: N-ethyl-6-methylpyridin-2-amine
SYSTEMATIC NAME: N-ethyl-6-methyl-pyridin-2-amine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CCNC1=CC=CC(=N1)C
Structure:
CAS RN: 39145-47-6
CAS Name: 1-(4-chlorophenoxy)-2-nitrobenzene
OPENEYE Name: 1-(4-chlorophenoxy)-2-nitro-benzene
IUPAC Name: 1-(4-chlorophenoxy)-2-nitrobenzene
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-2-nitro-benzene
MOLECULAR FORMULA: C12H8ClNO3
MOLECULAR WEIGHT: 249.64982
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 39139-87-2
CAS Name: tetrabutylammonium cyanate
OPENEYE Name: tetrabutylammonium cyanate
IUPAC Name: tetrabutylazanium cyanate
SYSTEMATIC NAME: tetrabutylazanium cyanate
MOLECULAR FORMULA: C17H36N2O
MOLECULAR WEIGHT: 284.48054
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(#N)[O-]
Structure:
CAS RN: 39138-90-4
CAS Name: 2-(4-nitrophenoxy)phenol
OPENEYE Name: 2-(4-nitrophenoxy)phenol
IUPAC Name: 2-(4-nitrophenoxy)phenol
SYSTEMATIC NAME: 2-(4-nitrophenoxy)phenol
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1=CC=C(C(=C1)O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 39133-13-6
CAS Name: 3-(4-oxo-3-quinazolinyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-(4-oxoquinazolin-3-yl)pyrrolidine-2,5-dione
IUPAC Name: 3-(4-oxoquinazolin-3-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(4-oxidanylidenequinazolin-3-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H9N3O3
MOLECULAR WEIGHT: 243.21816
SMILES: C1C(C(=O)NC1=O)N2C=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 39123-58-5
CAS Name: 2-(2-hydroxyethylamino)phenol
OPENEYE Name: 2-(2-hydroxyethylamino)phenol
IUPAC Name: 2-(2-hydroxyethylamino)phenol
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)phenol
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: C1=CC=C(C(=C1)NCCO)O
Structure:
CAS RN: 39123-48-3
CAS Name: 3-(4-oxo-3-quinazolinyl)piperidine-2,6-dione
OPENEYE Name: 3-(4-oxoquinazolin-3-yl)piperidine-2,6-dione
IUPAC Name: 3-(4-oxoquinazolin-3-yl)piperidine-2,6-dione
SYSTEMATIC NAME: 3-(4-oxidanylidenequinazolin-3-yl)piperidine-2,6-dione
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: C1CC(=O)NC(=O)C1N2C=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 39108-34-4
CAS Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanesulfonic acid
OPENEYE Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid
IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid
SYSTEMATIC NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decane-1-sulfonic acid
MOLECULAR FORMULA: C10H5F17O3S
MOLECULAR WEIGHT: 528.182754
SMILES: C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 39088-05-6
CAS Name: 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
OPENEYE Name: 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
IUPAC Name: 4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SYSTEMATIC NAME: 4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carboxamide
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=CC(=C(C(=O)N1)C(=O)N)C
Structure:
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