CAS RN: 1428-27-9
CAS Name: ammonium 2,2,3,3-tetrafluoropropanoate
OPENEYE Name: ammonium 2,2,3,3-tetrafluoropropanoate
IUPAC Name: azanium 2,2,3,3-tetrafluoropropanoate
SYSTEMATIC NAME: azanium 2,2,3,3-tetrakis(fluoranyl)propanoate
MOLECULAR FORMULA: C3H5F4NO2
MOLECULAR WEIGHT: 163.070913
SMILES: C(C(C(=O)[O-])(F)F)(F)F.[NH4+]
Structure:
CAS RN: 1322-72-1
CAS Name: 2,3-ditert-butylbenzene-1,4-diol
OPENEYE Name: 2,3-ditert-butylbenzene-1,4-diol
IUPAC Name: 2,3-ditert-butylbenzene-1,4-diol
SYSTEMATIC NAME: 2,3-ditert-butylbenzene-1,4-diol
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)O
Structure:
CAS RN: 1321-75-1
CAS Name: 2-(hydroxymethoxy)benzoic acid ethyl ester
OPENEYE Name: ethyl 2-(hydroxymethoxy)benzoate
IUPAC Name: ethyl 2-(hydroxymethoxy)benzoate
SYSTEMATIC NAME: ethyl 2-(hydroxymethyloxy)benzoate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCOC(=O)C1=CC=CC=C1OCO
Structure:
CAS RN: 57425-17-9
CAS Name: iridium tetrahydroxide
OPENEYE Name: iridium tetrahydroxide
IUPAC Name: iridium tetrahydroxide
SYSTEMATIC NAME: iridium tetrahydroxide
MOLECULAR FORMULA: H4IrO4-4
MOLECULAR WEIGHT: 260.24636
SMILES: [OH-].[OH-].[OH-].[OH-].[Ir]
Structure:
CAS RN: 1242-77-9
CAS Name: 1,2,4-trimethyl-1,2,3,4-tetrahydropicene
OPENEYE Name: 1,2,4-trimethyl-1,2,3,4-tetrahydropicene
IUPAC Name: 1,2,4-trimethyl-1,2,3,4-tetrahydropicene
SYSTEMATIC NAME: 1,2,4-trimethyl-1,2,3,4-tetrahydropicene
MOLECULAR FORMULA: C25H24
MOLECULAR WEIGHT: 324.45806
SMILES: CC1CC(C2=C(C1C)C3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5C=C4)C
Structure:
CAS RN: 1208-12-4
CAS Name: 2-amino-N-(2-naphthalenyl)acetamide hydrochloride
OPENEYE Name: 2-amino-N-(2-naphthyl)acetamide hydrochloride
IUPAC Name: 2-amino-N-naphthalen-2-ylacetamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N-naphthalen-2-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C12H13ClN2O
MOLECULAR WEIGHT: 236.69742
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CN.Cl
Structure:
CAS RN: 1202-33-1
CAS Name: N-(cyanomethyl)-N-(phenylmethyl)nitrous amide
OPENEYE Name: N-benzyl-N-(cyanomethyl)nitrous amide
IUPAC Name: N-benzyl-N-(cyanomethyl)nitrous amide
SYSTEMATIC NAME: N-(cyanomethyl)-N-(phenylmethyl)nitrous amide
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1=CC=C(C=C1)CN(CC#N)N=O
Structure:
CAS RN: 1192-29-6
CAS Name: 5-ethyl-3,4-dihydro-2H-pyrrole
OPENEYE Name: 5-ethyl-3,4-dihydro-2H-pyrrole
IUPAC Name: 5-ethyl-3,4-dihydro-2H-pyrrole
SYSTEMATIC NAME: 5-ethyl-3,4-dihydro-2H-pyrrole
MOLECULAR FORMULA: C6H11N
MOLECULAR WEIGHT: 97.15824
SMILES: CCC1=NCCC1
Structure:
CAS RN: 1189-45-3
CAS Name: N-butylcarbamic acid heptyl ester
OPENEYE Name: heptyl N-butylcarbamate
IUPAC Name: heptyl N-butylcarbamate
SYSTEMATIC NAME: heptyl N-butylcarbamate
MOLECULAR FORMULA: C12H25NO2
MOLECULAR WEIGHT: 215.3324
SMILES: CCCCCCCOC(=O)NCCCC
Structure:
CAS RN: 1189-23-7
CAS Name: 1,3-bis(2-methylpropyl)urea
OPENEYE Name: 1,3-diisobutylurea
IUPAC Name: 1,3-bis(2-methylpropyl)urea
SYSTEMATIC NAME: 1,3-bis(2-methylpropyl)urea
MOLECULAR FORMULA: C9H20N2O
MOLECULAR WEIGHT: 172.2679
SMILES: CC(C)CNC(=O)NCC(C)C
Structure:
CAS RN: 1187-04-8
CAS Name: 4-methylheptane-3,5-dione
OPENEYE Name: 4-methylheptane-3,5-dione
IUPAC Name: 4-methylheptane-3,5-dione
SYSTEMATIC NAME: 4-methylheptane-3,5-dione
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCC(=O)C(C)C(=O)CC
Structure:
CAS RN: 1133-78-4
CAS Name: 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid
OPENEYE Name: 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid
IUPAC Name: 2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazoline-4-carboxylic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O
Structure:
CAS RN: 1129-21-1
CAS Name: 4-tert-butylcyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-tert-butyl-1,2-benzoquinone
IUPAC Name: 4-tert-butylcyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4-tert-butylcyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC(C)(C)C1=CC(=O)C(=O)C=C1
Structure:
CAS RN: 1079-64-7
CAS Name: N,N-diphenylhydroxylamine
OPENEYE Name: N,N-diphenylhydroxylamine
IUPAC Name: N,N-diphenylhydroxylamine
SYSTEMATIC NAME: N,N-diphenylhydroxylamine
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)O
Structure:
CAS RN: 1072-00-0
CAS Name: zinc; carbanide; 1-propanethiolate
OPENEYE Name: zinc; carbanide; propane-1-thiolate
IUPAC Name: zinc; carbanide; propane-1-thiolate
SYSTEMATIC NAME: zinc; carbanide; propane-1-thiolate
MOLECULAR FORMULA: C4H10SZn
MOLECULAR WEIGHT: 155.5962
SMILES: [CH3-].CCC[S-].[Zn+2]
Structure:
CAS RN: 1070-59-3
CAS Name: N-butylcarbamic acid hexyl ester
OPENEYE Name: hexyl N-butylcarbamate
IUPAC Name: hexyl N-butylcarbamate
SYSTEMATIC NAME: hexyl N-butylcarbamate
MOLECULAR FORMULA: C11H23NO2
MOLECULAR WEIGHT: 201.30582
SMILES: CCCCCCOC(=O)NCCCC
Structure:
CAS RN: 1018-54-8
CAS Name: 7-methoxy-1,3,8-trimethylpurine-2,6-dione
OPENEYE Name: 7-methoxy-1,3,8-trimethyl-purine-2,6-dione
IUPAC Name: 7-methoxy-1,3,8-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-methoxy-1,3,8-trimethyl-purine-2,6-dione
MOLECULAR FORMULA: C9H12N4O3
MOLECULAR WEIGHT: 224.21658
SMILES: CC1=NC2=C(N1OC)C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 1012-56-2
CAS Name: triethyl-(phenylthio)stannane
OPENEYE Name: triethyl(phenylsulfanyl)stannane
IUPAC Name: triethyl(phenylsulfanyl)stannane
SYSTEMATIC NAME: triethyl(phenylsulfanyl)stannane
MOLECULAR FORMULA: C12H20SSn
MOLECULAR WEIGHT: 315.0622
SMILES: CC[Sn](CC)(CC)SC1=CC=CC=C1
Structure:
CAS RN: 955-59-9
CAS Name: 2-[(2,4-dinitrophenyl)disulfanyl]ethanol
OPENEYE Name: 2-[(2,4-dinitrophenyl)disulfanyl]ethanol
IUPAC Name: 2-[(2,4-dinitrophenyl)disulfanyl]ethanol
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)disulfanyl]ethanol
MOLECULAR FORMULA: C8H8N2O5S2
MOLECULAR WEIGHT: 276.28952
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSCCO
Structure:
CAS RN: 949-60-0
CAS Name: 2-(3,4,5-trichlorophenoxy)propanoic acid
OPENEYE Name: 2-(3,4,5-trichlorophenoxy)propanoic acid
IUPAC Name: 2-(3,4,5-trichlorophenoxy)propanoic acid
SYSTEMATIC NAME: 2-[3,4,5-tris(chloranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H7Cl3O3
MOLECULAR WEIGHT: 269.50908
SMILES: CC(C(=O)O)OC1=CC(=C(C(=C1)Cl)Cl)Cl
Structure:
CAS RN: 934-71-4
CAS Name: 1-bromo-4-methylsulfinylbenzene
OPENEYE Name: 1-bromo-4-methylsulfinyl-benzene
IUPAC Name: 1-bromo-4-methylsulfinylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-methylsulfinyl-benzene
MOLECULAR FORMULA: C7H7BrOS
MOLECULAR WEIGHT: 219.09888
SMILES: CS(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 892-75-1
CAS Name: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol hydrochloride
OPENEYE Name: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol hydrochloride
IUPAC Name: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol hydrochloride
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol hydrochloride
MOLECULAR FORMULA: C17H30ClNO
MOLECULAR WEIGHT: 299.8792
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C.Cl
Structure:
CAS RN: 866-72-8
CAS Name: 2,2,4-trimethylpentanoic acid
OPENEYE Name: 2,2,4-trimethylpentanoic acid
IUPAC Name: 2,2,4-trimethylpentanoic acid
SYSTEMATIC NAME: 2,2,4-trimethylpentanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CC(C)CC(C)(C)C(=O)O
Structure:
CAS RN: 814-84-6
CAS Name: 2-chloro-2-fluoroethanethioyl fluoride
OPENEYE Name: 2-chloro-2-fluoro-ethanethioyl fluoride
IUPAC Name: 2-chloro-2-fluoroethanethioyl fluoride
SYSTEMATIC NAME: 2-chloranyl-2-fluoranyl-ethanethioyl fluoride
MOLECULAR FORMULA: C2HClF2S
MOLECULAR WEIGHT: 130.544146
SMILES: C(C(=S)F)(F)Cl
Structure:
CAS RN: 789-06-0
CAS Name: 1-(2-pyrenyl)ethanone
OPENEYE Name: 1-pyren-2-ylethanone
IUPAC Name: 1-pyren-2-ylethanone
SYSTEMATIC NAME: 1-pyren-2-ylethanone
MOLECULAR FORMULA: C18H12O
MOLECULAR WEIGHT: 244.28728
SMILES: CC(=O)C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2
Structure:
CAS RN: 777-14-0
CAS Name: N-(1-pyrrolyl)benzamide
OPENEYE Name: N-pyrrol-1-ylbenzamide
IUPAC Name: N-pyrrol-1-ylbenzamide
SYSTEMATIC NAME: N-pyrrol-1-ylbenzamide
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C(C=C1)C(=O)NN2C=CC=C2
Structure:
CAS RN: 768-61-6
CAS Name: (5-ethyl-2-pyridinyl)methanol
OPENEYE Name: (5-ethyl-2-pyridyl)methanol
IUPAC Name: (5-ethylpyridin-2-yl)methanol
SYSTEMATIC NAME: (5-ethylpyridin-2-yl)methanol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CCC1=CN=C(C=C1)CO
Structure:
CAS RN: 757-36-8
CAS Name: triethyl(isocyanato)stannane
OPENEYE Name: triethyl(isocyanato)stannane
IUPAC Name: triethyl(isocyanato)stannane
SYSTEMATIC NAME: triethyl(isocyanato)stannane
MOLECULAR FORMULA: C7H15NOSn
MOLECULAR WEIGHT: 247.9101
SMILES: CC[Sn](CC)(CC)N=C=O
Structure:
CAS RN: 735-78-4
CAS Name: 2-[(4-phenyl-1-piperazinyl)methyl]-1-cyclohexanone
OPENEYE Name: 2-[(4-phenylpiperazin-1-yl)methyl]cyclohexanone
IUPAC Name: 2-[(4-phenylpiperazin-1-yl)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 2-[(4-phenylpiperazin-1-yl)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: C1CCC(=O)C(C1)CN2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 729-01-1
CAS Name: 3-(4-nitrophenyl)benzoic acid
OPENEYE Name: 3-(4-nitrophenyl)benzoic acid
IUPAC Name: 3-(4-nitrophenyl)benzoic acid
SYSTEMATIC NAME: 3-(4-nitrophenyl)benzoic acid
MOLECULAR FORMULA: C13H9NO4
MOLECULAR WEIGHT: 243.21486
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 715-51-5
CAS Name: 3-chlorophenanthrene
OPENEYE Name: 3-chlorophenanthrene
IUPAC Name: 3-chlorophenanthrene
SYSTEMATIC NAME: 3-chloranylphenanthrene
MOLECULAR FORMULA: C14H9Cl
MOLECULAR WEIGHT: 212.67426
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Cl
Structure:
CAS RN: 713-63-3
CAS Name: 4-(1,1,2,2-tetrafluoroethylthio)aniline
OPENEYE Name: 4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
IUPAC Name: 4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
SYSTEMATIC NAME: 4-[1,1,2,2-tetrakis(fluoranyl)ethylsulfanyl]aniline
MOLECULAR FORMULA: C8H7F4NS
MOLECULAR WEIGHT: 225.206493
SMILES: C1=CC(=CC=C1N)SC(C(F)F)(F)F
Structure:
CAS RN: 708-88-3
CAS Name: N-methyl-N-(1,2,2-trichloroethenyl)aniline
OPENEYE Name: N-methyl-N-(1,2,2-trichlorovinyl)aniline
IUPAC Name: N-methyl-N-(1,2,2-trichloroethenyl)aniline
SYSTEMATIC NAME: N-methyl-N-[1,2,2-tris(chloranyl)ethenyl]aniline
MOLECULAR FORMULA: C9H8Cl3N
MOLECULAR WEIGHT: 236.52552
SMILES: CN(C1=CC=CC=C1)C(=C(Cl)Cl)Cl
Structure:
CAS RN: 698-02-2
CAS Name: 2-iodo-N,N-dimethylaniline
OPENEYE Name: 2-iodo-N,N-dimethyl-aniline
IUPAC Name: 2-iodo-N,N-dimethylaniline
SYSTEMATIC NAME: 2-iodanyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C8H10IN
MOLECULAR WEIGHT: 247.07617
SMILES: CN(C)C1=CC=CC=C1I
Structure:
CAS RN: 684-17-3
CAS Name: (2,2,2-trichloro-1-hydroxyethyl)phosphonic acid
OPENEYE Name: (2,2,2-trichloro-1-hydroxy-ethyl)phosphonic acid
IUPAC Name: (2,2,2-trichloro-1-hydroxyethyl)phosphonic acid
SYSTEMATIC NAME: [2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]phosphonic acid
MOLECULAR FORMULA: C2H4Cl3O4P
MOLECULAR WEIGHT: 229.383521
SMILES: C(C(Cl)(Cl)Cl)(O)P(=O)(O)O
Structure:
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