CAS RN: 82189-26-2
CAS Name: 3-amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-5-isoxazolone
OPENEYE Name: 3-amino-2-(p-tolylsulfonyl)-4-sec-butyl-isoxazol-5-one
IUPAC Name: 3-amino-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one
SYSTEMATIC NAME: 3-azanyl-4-butan-2-yl-2-(4-methylphenyl)sulfonyl-1,2-oxazol-5-one
MOLECULAR FORMULA: C14H18N2O4S
MOLECULAR WEIGHT: 310.36872
SMILES: CCC(C)C1=C(N(OC1=O)S(=O)(=O)C2=CC=C(C=C2)C)N
Structure:
CAS RN: 106-68-3
CAS Name: 3-octanone
OPENEYE Name: octan-3-one
IUPAC Name: octan-3-one
SYSTEMATIC NAME: octan-3-one
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCCC(=O)CC
Structure:
CAS RN: 4408-66-6
CAS Name: 2-[2-[2-(carboxymethylthio)ethoxy]ethylthio]acetic acid
OPENEYE Name: 2-[2-[2-(carboxymethylsulfanyl)ethoxy]ethylsulfanyl]acetic acid
IUPAC Name: 2-[2-[2-(carboxymethylsulfanyl)ethoxy]ethylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[2-[2-(2-hydroxy-2-oxoethylsulfanyl)ethoxy]ethylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C8H14O5S2
MOLECULAR WEIGHT: 254.32376
SMILES: C(CSCC(=O)O)OCCSCC(=O)O
Structure:
CAS RN: 2100-42-7
CAS Name: 2-chloro-1,4-dimethoxybenzene
OPENEYE Name: 2-chloro-1,4-dimethoxy-benzene
IUPAC Name: 2-chloro-1,4-dimethoxybenzene
SYSTEMATIC NAME: 2-chloranyl-1,4-dimethoxy-benzene
MOLECULAR FORMULA: C8H9ClO2
MOLECULAR WEIGHT: 172.60886
SMILES: COC1=CC(=C(C=C1)OC)Cl
Structure:
CAS RN: 6627-60-7
CAS Name: (6-methyl-2-pyridinyl)methanamine
OPENEYE Name: (6-methyl-2-pyridyl)methanamine
IUPAC Name: (6-methylpyridin-2-yl)methanamine
SYSTEMATIC NAME: (6-methylpyridin-2-yl)methanamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=NC(=CC=C1)CN
Structure:
CAS RN: 67055-68-9
CAS Name: 1,3-bis(2,4,6-trimethylphenyl)isobenzofuran
OPENEYE Name: 1,3-bis(2,4,6-trimethylphenyl)isobenzofuran
IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-2-benzofuran
SYSTEMATIC NAME: 1,3-bis(2,4,6-trimethylphenyl)-2-benzofuran
MOLECULAR FORMULA: C26H26O
MOLECULAR WEIGHT: 354.48404
SMILES: CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=C(O2)C4=C(C=C(C=C4C)C)C)C
Structure:
CAS RN: 34844-44-5
CAS Name: [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol
OPENEYE Name: [2-[2-(hydroxymethyl)-4-methyl-phenyl]-5-methyl-phenyl]methanol
IUPAC Name: [2-[2-(hydroxymethyl)-4-methylphenyl]-5-methylphenyl]methanol
SYSTEMATIC NAME: [2-[2-(hydroxymethyl)-4-methyl-phenyl]-5-methyl-phenyl]methanol
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)CO)CO
Structure:
CAS RN: 23482-34-0
CAS Name: (2-nitrophenyl)-thiophen-2-ylmethanone
OPENEYE Name: (2-nitrophenyl)-(2-thienyl)methanone
IUPAC Name: (2-nitrophenyl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (2-nitrophenyl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C11H7NO3S
MOLECULAR WEIGHT: 233.24318
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CS2)[N+](=O)[O-]
Structure:
CAS RN: 699-90-1
CAS Name: 3-fluoro-2-methylbenzoic acid
OPENEYE Name: 3-fluoro-2-methyl-benzoic acid
IUPAC Name: 3-fluoro-2-methylbenzoic acid
SYSTEMATIC NAME: 3-fluoranyl-2-methyl-benzoic acid
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: CC1=C(C=CC=C1F)C(=O)O
Structure:
CAS RN: 40771-32-2
CAS Name: 1,1-bis(2-chloroethyl)-3-ethylurea
OPENEYE Name: 1,1-bis(2-chloroethyl)-3-ethyl-urea
IUPAC Name: 1,1-bis(2-chloroethyl)-3-ethylurea
SYSTEMATIC NAME: 1,1-bis(2-chloroethyl)-3-ethyl-urea
MOLECULAR FORMULA: C7H14Cl2N2O
MOLECULAR WEIGHT: 213.10486
SMILES: CCNC(=O)N(CCCl)CCCl
Structure:
CAS RN: 6630-30-4
CAS Name: 6-chloro-5-nitro-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-chloro-5-nitro-1H-pyrimidine-2,4-dione
IUPAC Name: 6-chloro-5-nitro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-5-nitro-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C4H2ClN3O4
MOLECULAR WEIGHT: 191.52938
SMILES: C1(=C(NC(=O)NC1=O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 28862-79-5
CAS Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid
IUPAC Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 6630-22-4
CAS Name: N,N'-dimethyl-1,2-dipyridin-4-ylethane-1,2-diamine
OPENEYE Name: N,N'-dimethyl-1,2-bis(4-pyridyl)ethane-1,2-diamine
IUPAC Name: N,N'-dimethyl-1,2-dipyridin-4-ylethane-1,2-diamine
SYSTEMATIC NAME: N,N'-dimethyl-1,2-dipyridin-4-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C14H18N4
MOLECULAR WEIGHT: 242.31952
SMILES: CNC(C1=CC=NC=C1)C(C2=CC=NC=C2)NC
Structure:
CAS RN: 6630-03-1
CAS Name: 2-(diethylaminomethyl)-3,6-dimethylphenol
OPENEYE Name: 2-(diethylaminomethyl)-3,6-dimethyl-phenol
IUPAC Name: 2-(diethylaminomethyl)-3,6-dimethylphenol
SYSTEMATIC NAME: 2-(diethylaminomethyl)-3,6-dimethyl-phenol
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: CCN(CC)CC1=C(C=CC(=C1O)C)C
Structure:
CAS RN: 7507-49-5
CAS Name: 4-(2-chloro-1-oxoethyl)-1,5-dimethyl-2-phenyl-3-pyrazolone
OPENEYE Name: 4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
IUPAC Name: 4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4-(2-chloranylethanoyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C13H13ClN2O2
MOLECULAR WEIGHT: 264.70752
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl
Structure:
CAS RN: 71501-54-7
CAS Name: N-(5-chloro-2-methylphenyl)benzenesulfonamide
OPENEYE Name: N-(5-chloro-2-methyl-phenyl)benzenesulfonamide
IUPAC Name: N-(5-chloro-2-methylphenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methyl-phenyl)benzenesulfonamide
MOLECULAR FORMULA: C13H12ClNO2S
MOLECULAR WEIGHT: 281.75788
SMILES: CC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 86356-70-9
CAS Name: N-(3-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide
OPENEYE Name: N-(3-chloro-2-methyl-4-nitro-phenyl)benzenesulfonamide
IUPAC Name: N-(3-chloro-2-methyl-4-nitrophenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-4-nitro-phenyl)benzenesulfonamide
MOLECULAR FORMULA: C13H11ClN2O4S
MOLECULAR WEIGHT: 326.75544
SMILES: CC1=C(C=CC(=C1Cl)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 75833-38-4
CAS Name: 2-chloro-4-pyrimidinecarbonitrile
OPENEYE Name: 2-chloropyrimidine-4-carbonitrile
IUPAC Name: 2-chloropyrimidine-4-carbonitrile
SYSTEMATIC NAME: 2-chloranylpyrimidine-4-carbonitrile
MOLECULAR FORMULA: C5H2ClN3
MOLECULAR WEIGHT: 139.54248
SMILES: C1=CN=C(N=C1C#N)Cl
Structure:
CAS RN: 7729-18-2
CAS Name: 1-(2,7-dimethyl-1-naphthalenyl)-2,7-dimethylnaphthalene
OPENEYE Name: 1-(2,7-dimethyl-1-naphthyl)-2,7-dimethyl-naphthalene
IUPAC Name: 1-(2,7-dimethylnaphthalen-1-yl)-2,7-dimethylnaphthalene
SYSTEMATIC NAME: 1-(2,7-dimethylnaphthalen-1-yl)-2,7-dimethyl-naphthalene
MOLECULAR FORMULA: C24H22
MOLECULAR WEIGHT: 310.43148
SMILES: CC1=CC2=C(C=C1)C=CC(=C2C3=C(C=CC4=C3C=C(C=C4)C)C)C
Structure:
CAS RN: 38119-05-0
CAS Name: 2-methyl-6-[1-naphthalenyl(oxo)methyl]benzoic acid
OPENEYE Name: 2-methyl-6-(naphthalene-1-carbonyl)benzoic acid
IUPAC Name: 2-methyl-6-(naphthalene-1-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-methyl-6-naphthalen-1-ylcarbonyl-benzoic acid
MOLECULAR FORMULA: C19H14O3
MOLECULAR WEIGHT: 290.31266
SMILES: CC1=CC=CC(=C1C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 39669-19-7
CAS Name: (2,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
OPENEYE Name: (2,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
IUPAC Name: (2,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
SYSTEMATIC NAME: (2,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
MOLECULAR FORMULA: C18H20O
MOLECULAR WEIGHT: 252.3508
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=C(C=C(C=C2C)C)C
Structure:
CAS RN: 27817-50-1
CAS Name: (3-chlorophenyl)-(1-naphthalenyl)methanone
OPENEYE Name: (3-chlorophenyl)-(1-naphthyl)methanone
IUPAC Name: (3-chlorophenyl)-naphthalen-1-ylmethanone
SYSTEMATIC NAME: (3-chlorophenyl)-naphthalen-1-yl-methanone
MOLECULAR FORMULA: C17H11ClO
MOLECULAR WEIGHT: 266.72164
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 67073-72-7
CAS Name: 1-(3-chlorophenyl)-2-phenylethanone
OPENEYE Name: 1-(3-chlorophenyl)-2-phenyl-ethanone
IUPAC Name: 1-(3-chlorophenyl)-2-phenylethanone
SYSTEMATIC NAME: 1-(3-chlorophenyl)-2-phenyl-ethanone
MOLECULAR FORMULA: C14H11ClO
MOLECULAR WEIGHT: 230.68954
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 3424-82-6
CAS Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
OPENEYE Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene
IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-[2,2-bis(chloranyl)-1-(2-chlorophenyl)ethenyl]-4-chloranyl-benzene
MOLECULAR FORMULA: C14H8Cl4
MOLECULAR WEIGHT: 318.02532
SMILES: C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 3224-82-6
CAS Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
OPENEYE Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene
IUPAC Name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-[2,2-bis(chloranyl)-1-(2-chlorophenyl)ethenyl]-4-chloranyl-benzene
MOLECULAR FORMULA: C14H8Cl4
MOLECULAR WEIGHT: 318.02532
SMILES: C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 36289-17-5
CAS Name: N-acetyl-N-(4-chlorophenyl)acetamide
OPENEYE Name: N-acetyl-N-(4-chlorophenyl)acetamide
IUPAC Name: N-acetyl-N-(4-chlorophenyl)acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-N-ethanoyl-ethanamide
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)C
Structure:
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