CAS RN: 3304-24-3
CAS Name: 2-(2-hydroxypropan-2-yl)-5-methyl-1-cyclohexanone
OPENEYE Name: 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanone
IUPAC Name: 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
SYSTEMATIC NAME: 5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexan-1-one
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC1CCC(C(=O)C1)C(C)(C)O
Structure:
CAS RN: 3287-17-0
CAS Name: 4-tert-butyl-2-(5-chloro-2-benzotriazolyl)phenol
OPENEYE Name: 4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
IUPAC Name: 4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
SYSTEMATIC NAME: 4-tert-butyl-2-(5-chloranylbenzotriazol-2-yl)phenol
MOLECULAR FORMULA: C16H16ClN3O
MOLECULAR WEIGHT: 301.77074
SMILES: CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC(=CC3=N2)Cl
Structure:
CAS RN: 3287-02-3
CAS Name: 1-methyl-4-(2-phenylethynyl)benzene
OPENEYE Name: 1-methyl-4-(2-phenylethynyl)benzene
IUPAC Name: 1-methyl-4-(2-phenylethynyl)benzene
SYSTEMATIC NAME: 1-methyl-4-(2-phenylethynyl)benzene
MOLECULAR FORMULA: C15H12
MOLECULAR WEIGHT: 192.25578
SMILES: CC1=CC=C(C=C1)C#CC2=CC=CC=C2
Structure:
CAS RN: 3279-95-6
CAS Name: 2-aminooxyethanol
OPENEYE Name: 2-aminooxyethanol
IUPAC Name: 2-aminooxyethanol
SYSTEMATIC NAME: 2-azanyloxyethanol
MOLECULAR FORMULA: C2H7NO2
MOLECULAR WEIGHT: 77.08248
SMILES: C(CON)O
Structure:
CAS RN: 3278-15-7
CAS Name: N-[2-(4-methylphenyl)ethyl]benzamide
OPENEYE Name: N-[2-(p-tolyl)ethyl]benzamide
IUPAC Name: N-[2-(4-methylphenyl)ethyl]benzamide
SYSTEMATIC NAME: N-[2-(4-methylphenyl)ethyl]benzamide
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: CC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 3233-64-5
CAS Name: sulfuric acid (3-nitrophenyl) ester
OPENEYE Name: (3-nitrophenyl) hydrogen sulfate
IUPAC Name: (3-nitrophenyl) hydrogen sulfate
SYSTEMATIC NAME: (3-nitrophenyl) hydrogen sulfate
MOLECULAR FORMULA: C6H5NO6S
MOLECULAR WEIGHT: 219.172
SMILES: C1=CC(=CC(=C1)OS(=O)(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 3195-71-9
CAS Name: 3-(4-aminophenyl)-5-methyl-2-oxolanone hydrochloride
OPENEYE Name: 3-(4-aminophenyl)-5-methyl-tetrahydrofuran-2-one hydrochloride
IUPAC Name: 3-(4-aminophenyl)-5-methyloxolan-2-one hydrochloride
SYSTEMATIC NAME: 3-(4-aminophenyl)-5-methyl-oxolan-2-one hydrochloride
MOLECULAR FORMULA: C11H14ClNO2
MOLECULAR WEIGHT: 227.68736
SMILES: CC1CC(C(=O)O1)C2=CC=C(C=C2)N.Cl
Structure:
CAS RN: 72968-79-7
CAS Name: 2-[(4-anilinophenyl)iminomethyl]benzenesulfonic acid
OPENEYE Name: 2-[(4-anilinophenyl)iminomethyl]benzenesulfonic acid
IUPAC Name: 2-[(4-anilinophenyl)iminomethyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-[(4-phenylazanylphenyl)iminomethyl]benzenesulfonic acid
MOLECULAR FORMULA: C19H16N2O3S
MOLECULAR WEIGHT: 352.40694
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC=CC=C3S(=O)(=O)O
Structure:
CAS RN: 3164-09-8
CAS Name: 2-(2-chlorophenyl)-1,3-benzoxazole
OPENEYE Name: 2-(2-chlorophenyl)-1,3-benzoxazole
IUPAC Name: 2-(2-chlorophenyl)-1,3-benzoxazole
SYSTEMATIC NAME: 2-(2-chlorophenyl)-1,3-benzoxazole
MOLECULAR FORMULA: C13H8ClNO
MOLECULAR WEIGHT: 229.66172
SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)Cl
Structure:
CAS RN: 3116-29-8
CAS Name: N-(2-hydroxyethyl)-2-propylpentanamide
OPENEYE Name: N-(2-hydroxyethyl)-2-propyl-pentanamide
IUPAC Name: N-(2-hydroxyethyl)-2-propylpentanamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-2-propyl-pentanamide
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CCCC(CCC)C(=O)NCCO
Structure:
CAS RN: 3114-64-5
CAS Name: 3,6-dichloro-2-nitrophenol
OPENEYE Name: 3,6-dichloro-2-nitro-phenol
IUPAC Name: 3,6-dichloro-2-nitrophenol
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-nitro-phenol
MOLECULAR FORMULA: C6H3Cl2NO3
MOLECULAR WEIGHT: 207.99892
SMILES: C1=CC(=C(C(=C1Cl)[N+](=O)[O-])O)Cl
Structure:
CAS RN: 3108-42-7
CAS Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
OPENEYE Name: ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
IUPAC Name: azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
SYSTEMATIC NAME: azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoate
MOLECULAR FORMULA: C10H4F19NO2
MOLECULAR WEIGHT: 531.113921
SMILES: C(=O)(C(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)(F)F)[O-].[NH4+]
Structure:
CAS RN: 3084-33-1
CAS Name: hexadecyl(trimethyl)ammonium nitrite
OPENEYE Name: hexadecyl(trimethyl)ammonium nitrite
IUPAC Name: hexadecyl(trimethyl)azanium nitrite
SYSTEMATIC NAME: hexadecyl(trimethyl)azanium nitrite
MOLECULAR FORMULA: C19H42N2O2
MOLECULAR WEIGHT: 330.54898
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.N(=O)[O-]
Structure:
CAS RN: 3037-56-7
CAS Name: 3,5-dibromo-4-hydroxybenzamide
OPENEYE Name: 3,5-dibromo-4-hydroxy-benzamide
IUPAC Name: 3,5-dibromo-4-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-4-oxidanyl-benzamide
MOLECULAR FORMULA: C7H5Br2NO2
MOLECULAR WEIGHT: 294.9281
SMILES: C1=C(C=C(C(=C1Br)O)Br)C(=O)N
Structure:
CAS RN: 3025-42-1
CAS Name: 4-(2-chloro-4-nitrophenyl)azo-N,N-diethylaniline
OPENEYE Name: 4-(2-chloro-4-nitro-phenyl)azo-N,N-diethyl-aniline
IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-diethylaniline
SYSTEMATIC NAME: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N,N-diethyl-aniline
MOLECULAR FORMULA: C16H17ClN4O2
MOLECULAR WEIGHT: 332.78478
SMILES: CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 3003-38-1
CAS Name: 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoate
IUPAC Name: benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
SYSTEMATIC NAME: (phenylmethyl) 4-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
MOLECULAR FORMULA: C24H20N4O3
MOLECULAR WEIGHT: 412.4406
SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 2977-71-1
CAS Name: 2-amino-4-methylphenol hydrochloride
OPENEYE Name: 2-amino-4-methyl-phenol hydrochloride
IUPAC Name: 2-amino-4-methylphenol hydrochloride
SYSTEMATIC NAME: 2-azanyl-4-methyl-phenol hydrochloride
MOLECULAR FORMULA: C7H10ClNO
MOLECULAR WEIGHT: 159.6134
SMILES: CC1=CC(=C(C=C1)O)N.Cl
Structure:
CAS RN: 2934-35-2
CAS Name: 1-[10-[3-(dimethylamino)propyl]-2-phenoselenazinyl]-1-propanone
OPENEYE Name: 1-[10-[3-(dimethylamino)propyl]phenoselenazin-2-yl]propan-1-one
IUPAC Name: 1-[10-[3-(dimethylamino)propyl]phenoselenazin-2-yl]propan-1-one
SYSTEMATIC NAME: 1-[10-[3-(dimethylamino)propyl]phenoselenazin-2-yl]propan-1-one
MOLECULAR FORMULA: C20H24N2OSe
MOLECULAR WEIGHT: 387.37736
SMILES: CCC(=O)C1=CC2=C(C=C1)[Se]C3=CC=CC=C3N2CCCN(C)C
Structure:
CAS RN: 2913-40-8
CAS Name: 4-hydroxy-3,5-dimethylcyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-hydroxy-3,5-dimethyl-1,2-benzoquinone
IUPAC Name: 4-hydroxy-3,5-dimethylcyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3,5-dimethyl-4-oxidanyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: CC1=CC(=O)C(=O)C(=C1O)C
Structure:
CAS RN: 2908-80-7
CAS Name: 3-(4-hydroxyphenyl)-1,1-dimethylurea
OPENEYE Name: 3-(4-hydroxyphenyl)-1,1-dimethyl-urea
IUPAC Name: 3-(4-hydroxyphenyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)O
Structure:
CAS RN: 2903-64-2
CAS Name: 2-(2,4,5-trichlorophenyl)acetic acid
OPENEYE Name: 2-(2,4,5-trichlorophenyl)acetic acid
IUPAC Name: 2-(2,4,5-trichlorophenyl)acetic acid
SYSTEMATIC NAME: 2-[2,4,5-tris(chloranyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C8H5Cl3O2
MOLECULAR WEIGHT: 239.4831
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)CC(=O)O
Structure:
CAS RN: 2896-63-1
CAS Name: 3-propylbenzene-1,2-diol
OPENEYE Name: 3-propylbenzene-1,2-diol
IUPAC Name: 3-propylbenzene-1,2-diol
SYSTEMATIC NAME: 3-propylbenzene-1,2-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CCCC1=C(C(=CC=C1)O)O
Structure:
CAS RN: 2892-54-8
CAS Name: 2,3,4,4-tetrachloro-3-butenoic acid
OPENEYE Name: 2,3,4,4-tetrachlorobut-3-enoic acid
IUPAC Name: 2,3,4,4-tetrachlorobut-3-enoic acid
SYSTEMATIC NAME: 2,3,4,4-tetrakis(chloranyl)but-3-enoic acid
MOLECULAR FORMULA: C4H2Cl4O2
MOLECULAR WEIGHT: 223.86948
SMILES: C(C(=C(Cl)Cl)Cl)(C(=O)O)Cl
Structure:
CAS RN: 55837-13-3
CAS Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]ethoxy]ethanol
OPENEYE Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]ethoxy]ethanol
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethoxy]ethanol
SYSTEMATIC NAME: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]ethoxy]ethanol
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: C1CN(CCN1CCOCCO)C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
Structure:
CAS RN: 2850-44-4
CAS Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]ethoxy]ethanol hydrochloride
OPENEYE Name: 2-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
MOLECULAR FORMULA: C20H27Cl2N3O2
MOLECULAR WEIGHT: 412.35328
SMILES: C1CN(CCN1CCOCCO)C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.Cl
Structure:
CAS RN: 2835-97-4
CAS Name: 2-amino-3-methylphenol
OPENEYE Name: 2-amino-3-methyl-phenol
IUPAC Name: 2-amino-3-methylphenol
SYSTEMATIC NAME: 2-azanyl-3-methyl-phenol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=C(C(=CC=C1)O)N
Structure:
CAS RN: 2829-92-7
CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol hydrochloride
OPENEYE Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride
IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol hydrochloride
SYSTEMATIC NAME: 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenol hydrochloride
MOLECULAR FORMULA: C12H20ClNO3
MOLECULAR WEIGHT: 261.7451
SMILES: CC(C)NCC(COC1=CC=CC=C1O)O.Cl
Structure:
CAS RN: 2829-84-7
CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol hydrochloride
OPENEYE Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]phenol hydrochloride
IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenol hydrochloride
MOLECULAR FORMULA: C12H20ClNO3
MOLECULAR WEIGHT: 261.7451
SMILES: CC(C)NCC(COC1=CC=C(C=C1)O)O.Cl
Structure:
CAS RN: 2825-28-7
CAS Name: 3-sulfanylidenebutanamide hydrochloride
OPENEYE Name: 3-thioxobutanamide hydrochloride
IUPAC Name: 3-sulfanylidenebutanamide hydrochloride
SYSTEMATIC NAME: 3-sulfanylidenebutanamide hydrochloride
MOLECULAR FORMULA: C4H8ClNOS
MOLECULAR WEIGHT: 153.63042
SMILES: CC(=S)CC(=O)N.Cl
Structure:
CAS RN: 2813-22-1
CAS Name: 2-methylsulfinyl-1-phenylethanone
OPENEYE Name: 2-methylsulfinyl-1-phenyl-ethanone
IUPAC Name: 2-methylsulfinyl-1-phenylethanone
SYSTEMATIC NAME: 2-methylsulfinyl-1-phenyl-ethanone
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CS(=O)CC(=O)C1=CC=CC=C1
Structure:
CAS RN: 2811-50-9
CAS Name: 4-ethenyl-7-methoxy-1,2-dihydronaphthalene
OPENEYE Name: 7-methoxy-4-vinyl-1,2-dihydronaphthalene
IUPAC Name: 4-ethenyl-7-methoxy-1,2-dihydronaphthalene
SYSTEMATIC NAME: 4-ethenyl-7-methoxy-1,2-dihydronaphthalene
MOLECULAR FORMULA: C13H14O
MOLECULAR WEIGHT: 186.24966
SMILES: COC1=CC2=C(C=C1)C(=CCC2)C=C
Structure:
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