CAS RN: 41392-09-0
CAS Name: 2-methyl-2-propenoic acid dimethylphosphorylmethyl ester
OPENEYE Name: dimethylphosphorylmethyl 2-methylprop-2-enoate
IUPAC Name: dimethylphosphorylmethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: dimethylphosphorylmethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C7H13O3P
MOLECULAR WEIGHT: 176.150081
SMILES: CC(=C)C(=O)OCP(=O)(C)C
Structure:
CAS RN: 41388-01-6
CAS Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-[(2,4-dinitrophenyl)amino]-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H15N5O4S
MOLECULAR WEIGHT: 337.3543
SMILES: CC1=CC(NC(=S)N1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C)C
Structure:
CAS RN: 41378-34-1
CAS Name: 2-[(3-amino-4-hydroxyphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(3-amino-4-hydroxy-benzoyl)benzoic acid
IUPAC Name: 2-(3-amino-4-hydroxybenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(3-azanyl-4-oxidanyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)O)N)C(=O)O
Structure:
CAS RN: 41360-55-8
CAS Name: 2-[4-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-[4-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H8F3NO
MOLECULAR WEIGHT: 203.16113
SMILES: C1=CC(=CC=C1CC(=O)N)C(F)(F)F
Structure:
CAS RN: 41358-63-8
CAS Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
OPENEYE Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octanamide
IUPAC Name: N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
SYSTEMATIC NAME: N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanamide
MOLECULAR FORMULA: C15H17F15N2O3
MOLECULAR WEIGHT: 558.283128
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)CN(CCO)CCO
Structure:
CAS RN: 41330-24-9
CAS Name: 3-methylcyclopentane-1,2-diamine
OPENEYE Name: 3-methylcyclopentane-1,2-diamine
IUPAC Name: 3-methylcyclopentane-1,2-diamine
SYSTEMATIC NAME: 3-methylcyclopentane-1,2-diamine
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: CC1CCC(C1N)N
Structure:
CAS RN: 41321-25-9
CAS Name: 3-methylbutanoic acid 1-cyclohex-2-enyl ester
OPENEYE Name: cyclohex-2-en-1-yl 3-methylbutanoate
IUPAC Name: cyclohex-2-en-1-yl 3-methylbutanoate
SYSTEMATIC NAME: cyclohex-2-en-1-yl 3-methylbutanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CC(C)CC(=O)OC1CCCC=C1
Structure:
CAS RN: 41319-54-4
CAS Name: N,N-dioctadecylcarbamoyl chloride
OPENEYE Name: N,N-dioctadecylcarbamoyl chloride
IUPAC Name: N,N-dioctadecylcarbamoyl chloride
SYSTEMATIC NAME: N,N-dioctadecylcarbamoyl chloride
MOLECULAR FORMULA: C37H74ClNO
MOLECULAR WEIGHT: 584.44256
SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)Cl
Structure:
CAS RN: 62138-41-4
CAS Name: 3-formyl-2,2-dimethyl-1-cyclopropanecarboxylic acid methyl ester
OPENEYE Name: methyl 3-formyl-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: methyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: methyl 3-methanoyl-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC1(C(C1C(=O)OC)C=O)C
Structure:
CAS RN: 41295-64-1
CAS Name: 4-chloro-3-oxobutanoyl chloride
OPENEYE Name: 4-chloro-3-oxo-butanoyl chloride
IUPAC Name: 4-chloro-3-oxobutanoyl chloride
SYSTEMATIC NAME: 4-chloranyl-3-oxidanylidene-butanoyl chloride
MOLECULAR FORMULA: C4H4Cl2O2
MOLECULAR WEIGHT: 154.97936
SMILES: C(C(=O)CCl)C(=O)Cl
Structure:
CAS RN: 41284-39-3
CAS Name: benzoic acid 2-(N-ethyl-3-methylanilino)ethyl ester
OPENEYE Name: 2-(N-ethyl-3-methyl-anilino)ethyl benzoate
IUPAC Name: 2-(N-ethyl-3-methylanilino)ethyl benzoate
SYSTEMATIC NAME: 2-[ethyl-(3-methylphenyl)amino]ethyl benzoate
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=CC(=C2)C
Structure:
CAS RN: 41245-45-8
CAS Name: 2-heptylnaphthalene-1,4-dione
OPENEYE Name: 2-heptylnaphthalene-1,4-dione
IUPAC Name: 2-heptylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-heptylnaphthalene-1,4-dione
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CCCCCCCC1=CC(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 41201-58-5
CAS Name: 5-fluoro-2-methyl-2,3-dihydroinden-1-one
OPENEYE Name: 5-fluoro-2-methyl-indan-1-one
IUPAC Name: 5-fluoro-2-methyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-fluoranyl-2-methyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H9FO
MOLECULAR WEIGHT: 164.176263
SMILES: CC1CC2=C(C1=O)C=CC(=C2)F
Structure:
CAS RN: 41200-97-9
CAS Name: 1,5-dichloro-2-nitro-4-propan-2-yloxybenzene
OPENEYE Name: 1,5-dichloro-2-isopropoxy-4-nitro-benzene
IUPAC Name: 1,5-dichloro-2-nitro-4-propan-2-yloxybenzene
SYSTEMATIC NAME: 1,5-bis(chloranyl)-2-nitro-4-propan-2-yloxy-benzene
MOLECULAR FORMULA: C9H9Cl2NO3
MOLECULAR WEIGHT: 250.07866
SMILES: CC(C)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 41191-16-6
CAS Name: 2-(4-nitrophenyl)-4-propan-2-ylmorpholine
OPENEYE Name: 4-isopropyl-2-(4-nitrophenyl)morpholine
IUPAC Name: 2-(4-nitrophenyl)-4-propan-2-ylmorpholine
SYSTEMATIC NAME: 2-(4-nitrophenyl)-4-propan-2-yl-morpholine
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: CC(C)N1CCOC(C1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 41164-59-4
CAS Name: 2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
OPENEYE Name: 2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
IUPAC Name: 2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 2-[1,2-bis(oxidanyl)pentyl]-4-methoxy-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CCCC(C(C1CC(=CC(=O)O1)OC)O)O
Structure:
CAS RN: 41121-04-4
CAS Name: 2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
OPENEYE Name: 2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
MOLECULAR FORMULA: C14H31NO6
MOLECULAR WEIGHT: 309.39904
SMILES: COCCOCCOCCNCCOCCOCCOC
Structure:
CAS RN: 41078-07-3
CAS Name: 2-cyano-N-[oxo(propylamino)methyl]acetamide
OPENEYE Name: 2-cyano-N-(propylcarbamoyl)acetamide
IUPAC Name: 2-cyano-N-(propylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(propylcarbamoyl)ethanamide
MOLECULAR FORMULA: C7H11N3O2
MOLECULAR WEIGHT: 169.18114
SMILES: CCCNC(=O)NC(=O)CC#N
Structure:
CAS RN: 41063-39-2
CAS Name: 1-(dodecylamino)-2-propanol
OPENEYE Name: 1-(dodecylamino)propan-2-ol
IUPAC Name: 1-(dodecylamino)propan-2-ol
SYSTEMATIC NAME: 1-(dodecylamino)propan-2-ol
MOLECULAR FORMULA: C15H33NO
MOLECULAR WEIGHT: 243.42862
SMILES: CCCCCCCCCCCCNCC(C)O
Structure:
CAS RN: 41063-36-9
CAS Name: 1-(pentylamino)-2-propanol
OPENEYE Name: 1-(pentylamino)propan-2-ol
IUPAC Name: 1-(pentylamino)propan-2-ol
SYSTEMATIC NAME: 1-(pentylamino)propan-2-ol
MOLECULAR FORMULA: C8H19NO
MOLECULAR WEIGHT: 145.24256
SMILES: CCCCCNCC(C)O
Structure:
CAS RN: 41051-18-7
CAS Name: 3-oxo-4-phenoxybutanoic acid ethyl ester
OPENEYE Name: ethyl 3-oxo-4-phenoxy-butanoate
IUPAC Name: ethyl 3-oxo-4-phenoxybutanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidene-4-phenoxy-butanoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CCOC(=O)CC(=O)COC1=CC=CC=C1
Structure:
CAS RN: 41051-14-3
CAS Name: 4-ethoxy-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-ethoxy-3-oxo-butanoate
IUPAC Name: ethyl 4-ethoxy-3-oxobutanoate
SYSTEMATIC NAME: ethyl 4-ethoxy-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCOCC(=O)CC(=O)OCC
Structure:
CAS RN: 41035-89-6
CAS Name: N-methylmethanamine; phosphoric acid
OPENEYE Name: N-methylmethanamine; phosphoric acid
IUPAC Name: N-methylmethanamine; phosphoric acid
SYSTEMATIC NAME: N-methylmethanamine; phosphoric acid
MOLECULAR FORMULA: C2H10NO4P
MOLECULAR WEIGHT: 143.078861
SMILES: CNC.OP(=O)(O)O
Structure:
CAS RN: 41004-47-1
CAS Name: 3-mercaptopropanoic acid 5-methylheptyl ester
OPENEYE Name: 5-methylheptyl 3-sulfanylpropanoate
IUPAC Name: 5-methylheptyl 3-sulfanylpropanoate
SYSTEMATIC NAME: 5-methylheptyl 3-sulfanylpropanoate
MOLECULAR FORMULA: C11H22O2S
MOLECULAR WEIGHT: 218.35618
SMILES: CCC(C)CCCCOC(=O)CCS
Structure:
CAS RN: 40953-16-0
CAS Name: 2,4,5-triethyloxazole
OPENEYE Name: 2,4,5-triethyloxazole
IUPAC Name: 2,4,5-triethyl-1,3-oxazole
SYSTEMATIC NAME: 2,4,5-triethyl-1,3-oxazole
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CCC1=C(OC(=N1)CC)CC
Structure:
CAS RN: 40953-14-8
CAS Name: 2,5-diethyloxazole
OPENEYE Name: 2,5-diethyloxazole
IUPAC Name: 2,5-diethyl-1,3-oxazole
SYSTEMATIC NAME: 2,5-diethyl-1,3-oxazole
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: CCC1=CN=C(O1)CC
Structure:
CAS RN: 40952-11-2
CAS Name: N-tetradecyl-2-propenamide
OPENEYE Name: N-tetradecylprop-2-enamide
IUPAC Name: N-tetradecylprop-2-enamide
SYSTEMATIC NAME: N-tetradecylprop-2-enamide
MOLECULAR FORMULA: C17H33NO
MOLECULAR WEIGHT: 267.45002
SMILES: CCCCCCCCCCCCCCNC(=O)C=C
Structure:
CAS RN: 40939-03-5
CAS Name: 1-[(4-chlorophenyl)methylthio]-2-propanone
OPENEYE Name: 1-[(4-chlorophenyl)methylsulfanyl]propan-2-one
IUPAC Name: 1-[(4-chlorophenyl)methylsulfanyl]propan-2-one
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methylsulfanyl]propan-2-one
MOLECULAR FORMULA: C10H11ClOS
MOLECULAR WEIGHT: 214.71174
SMILES: CC(=O)CSCC1=CC=C(C=C1)Cl
Structure:
CAS RN: 40898-98-4
CAS Name: 1-amino-2,2-dimethyl-1-propanol
OPENEYE Name: 1-amino-2,2-dimethyl-propan-1-ol
IUPAC Name: 1-amino-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 1-azanyl-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CC(C)(C)C(N)O
Structure:
CAS RN: 40862-32-6
CAS Name: 1-(4-fluorophenyl)-4-iodo-1-butanone
OPENEYE Name: 1-(4-fluorophenyl)-4-iodo-butan-1-one
IUPAC Name: 1-(4-fluorophenyl)-4-iodobutan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-iodanyl-butan-1-one
MOLECULAR FORMULA: C10H10FIO
MOLECULAR WEIGHT: 292.088673
SMILES: C1=CC(=CC=C1C(=O)CCCI)F
Structure:
CAS RN: 40859-37-8
CAS Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-3-pyridinecarbonitrile
OPENEYE Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile
IUPAC Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-carbonitrile
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CC1=CC(=O)N(C(=C1C#N)O)CCCN(C)C
Structure:
CAS RN: 40851-64-7
CAS Name: 2-[2-(azidomethyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(azidomethyl)phenyl]acetic acid
IUPAC Name: 2-[2-(azidomethyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(azidomethyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: C1=CC=C(C(=C1)CC(=O)O)CN=[N+]=[N-]
Structure:
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