CAS RN: 42872-29-7
CAS Name: 3-(1-cyanoethyl)benzoyl chloride
OPENEYE Name: 3-(1-cyanoethyl)benzoyl chloride
IUPAC Name: 3-(1-cyanoethyl)benzoyl chloride
SYSTEMATIC NAME: 3-(1-cyanoethyl)benzoyl chloride
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC(C#N)C1=CC=CC(=C1)C(=O)Cl
Structure:
CAS RN: 42856-62-2
CAS Name: 2-methylpentane-1,5-diol
OPENEYE Name: 2-methylpentane-1,5-diol
IUPAC Name: 2-methylpentane-1,5-diol
SYSTEMATIC NAME: 2-methylpentane-1,5-diol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(CCCO)CO
Structure:
CAS RN: 42839-13-4
CAS Name: 3-(2-furanylmethoxy)propanenitrile
OPENEYE Name: 3-(2-furylmethoxy)propanenitrile
IUPAC Name: 3-(furan-2-ylmethoxy)propanenitrile
SYSTEMATIC NAME: 3-(furan-2-ylmethoxy)propanenitrile
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1=COC(=C1)COCCC#N
Structure:
CAS RN: 42822-98-0
CAS Name: 3,7-dimethyl-N-phenyl-6-octen-1-imine
OPENEYE Name: 3,7-dimethyl-N-phenyl-oct-6-en-1-imine
IUPAC Name: 3,7-dimethyl-N-phenyloct-6-en-1-imine
SYSTEMATIC NAME: 3,7-dimethyl-N-phenyl-oct-6-en-1-imine
MOLECULAR FORMULA: C16H23N
MOLECULAR WEIGHT: 229.36052
SMILES: CC(CCC=C(C)C)CC=NC1=CC=CC=C1
Structure:
CAS RN: 42798-67-4
CAS Name: 2-[4-(phenylmethyl)phenoxy]thiazole
OPENEYE Name: 2-(4-benzylphenoxy)thiazole
IUPAC Name: 2-(4-benzylphenoxy)-1,3-thiazole
SYSTEMATIC NAME: 2-[4-(phenylmethyl)phenoxy]-1,3-thiazole
MOLECULAR FORMULA: C16H13NOS
MOLECULAR WEIGHT: 267.34552
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)OC3=NC=CS3
Structure:
CAS RN: 42798-11-8
CAS Name: 2-ethyl-2-(phenylthio)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-ethyl-2-phenylsulfanyl-propanedioate
IUPAC Name: diethyl 2-ethyl-2-phenylsulfanylpropanedioate
SYSTEMATIC NAME: diethyl 2-ethyl-2-phenylsulfanyl-propanedioate
MOLECULAR FORMULA: C15H20O4S
MOLECULAR WEIGHT: 296.3819
SMILES: CCC(C(=O)OCC)(C(=O)OCC)SC1=CC=CC=C1
Structure:
CAS RN: 42785-22-8
CAS Name: (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone
OPENEYE Name: (3-amino-6-chloro-2-pyridyl)-(2-chlorophenyl)methanone
IUPAC Name: (3-amino-6-chloropyridin-2-yl)-(2-chlorophenyl)methanone
SYSTEMATIC NAME: (3-azanyl-6-chloranyl-pyridin-2-yl)-(2-chlorophenyl)methanone
MOLECULAR FORMULA: C12H8Cl2N2O
MOLECULAR WEIGHT: 267.11072
SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=N2)Cl)N)Cl
Structure:
CAS RN: 42777-73-1
CAS Name: [2-methylpropoxy(diphenyl)methyl]benzene
OPENEYE Name: [isobutoxy(diphenyl)methyl]benzene
IUPAC Name: [2-methylpropoxy(diphenyl)methyl]benzene
SYSTEMATIC NAME: [2-methylpropoxy(diphenyl)methyl]benzene
MOLECULAR FORMULA: C23H24O
MOLECULAR WEIGHT: 316.43606
SMILES: CC(C)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 42757-55-1
CAS Name: 1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]sulfonyl-2-(2,3-dibromopropoxy)benzene
OPENEYE Name: 1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]sulfonyl-2-(2,3-dibromopropoxy)benzene
IUPAC Name: 1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]sulfonyl-2-(2,3-dibromopropoxy)benzene
SYSTEMATIC NAME: 2-[2,3-bis(bromanyl)propoxy]-5-[4-[2,3-bis(bromanyl)propoxy]-3,5-bis(bromanyl)phenyl]sulfonyl-1,3-bis(bromanyl)benzene
MOLECULAR FORMULA: C18H14Br8O4S
MOLECULAR WEIGHT: 965.59836
SMILES: C1=C(C=C(C(=C1Br)OCC(CBr)Br)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCC(CBr)Br)Br
Structure:
CAS RN: 42755-45-3
CAS Name: N'-(4-chloro-2-cyanophenyl)-N,N-dimethylmethanimidamide hydrochloride
OPENEYE Name: N'-(4-chloro-2-cyano-phenyl)-N,N-dimethyl-formamidine hydrochloride
IUPAC Name: N'-(4-chloro-2-cyanophenyl)-N,N-dimethylmethanimidamide hydrochloride
SYSTEMATIC NAME: N'-(4-chloranyl-2-cyano-phenyl)-N,N-dimethyl-methanimidamide hydrochloride
MOLECULAR FORMULA: C10H11Cl2N3
MOLECULAR WEIGHT: 244.12044
SMILES: CN(C)C=NC1=C(C=C(C=C1)Cl)C#N.Cl
Structure:
CAS RN: 42740-49-8
CAS Name: 1,2,3,4-tetrachloro-5-(2,4,6-trichloro-3-nitrophenyl)benzene
OPENEYE Name: 1,2,3,4-tetrachloro-5-(2,4,6-trichloro-3-nitro-phenyl)benzene
IUPAC Name: 1,2,3,4-tetrachloro-5-(2,4,6-trichloro-3-nitrophenyl)benzene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-5-[2,4,6-tris(chloranyl)-3-nitro-phenyl]benzene
MOLECULAR FORMULA: C12H2Cl7NO2
MOLECULAR WEIGHT: 440.32078
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)[N+](=O)[O-])Cl
Structure:
CAS RN: 42728-62-1
CAS Name: [4-(chloromethyl)phenyl]-phenylmethanone
OPENEYE Name: [4-(chloromethyl)phenyl]-phenyl-methanone
IUPAC Name: [4-(chloromethyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [4-(chloromethyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C14H11ClO
MOLECULAR WEIGHT: 230.68954
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCl
Structure:
CAS RN: 42577-04-8
CAS Name: N-cyclohexyloctanamide
OPENEYE Name: N-cyclohexyloctanamide
IUPAC Name: N-cyclohexyloctanamide
SYSTEMATIC NAME: N-cyclohexyloctanamide
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CCCCCCCC(=O)NC1CCCCC1
Structure:
CAS RN: 42572-11-2
CAS Name: carbonochloridic acid (2-butan-2-ylphenyl) ester
OPENEYE Name: (2-sec-butylphenyl) carbonochloridate
IUPAC Name: (2-butan-2-ylphenyl) carbonochloridate
SYSTEMATIC NAME: (2-butan-2-ylphenyl) carbonochloridate
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: CCC(C)C1=CC=CC=C1OC(=O)Cl
Structure:
CAS RN: 42533-63-1
CAS Name: 1-(bromomethyl)-2-chloro-4-nitrobenzene
OPENEYE Name: 1-(bromomethyl)-2-chloro-4-nitro-benzene
IUPAC Name: 1-(bromomethyl)-2-chloro-4-nitrobenzene
SYSTEMATIC NAME: 1-(bromomethyl)-2-chloranyl-4-nitro-benzene
MOLECULAR FORMULA: C7H5BrClNO2
MOLECULAR WEIGHT: 250.4771
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)CBr
Structure:
CAS RN: 42528-99-4
CAS Name: acetic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] acetate
IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C12H12O5
MOLECULAR WEIGHT: 236.22068
SMILES: CC(=O)OCC(=O)C1=CC=C(C=C1)OC(=O)C
Structure:
CAS RN: 42487-72-9
CAS Name: 2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
OPENEYE Name: 2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C9H15N3O
MOLECULAR WEIGHT: 181.2349
SMILES: CCN(CC)C1=NC(=O)C=C(N1)C
Structure:
CAS RN: 42485-84-7
CAS Name: 2-(ethylamino)-4-methylphenol
OPENEYE Name: 2-(ethylamino)-4-methyl-phenol
IUPAC Name: 2-(ethylamino)-4-methylphenol
SYSTEMATIC NAME: 2-(ethylamino)-4-methyl-phenol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CCNC1=C(C=CC(=C1)C)O
Structure:
CAS RN: 42468-33-7
CAS Name: 2,6-dichloro-4-mercaptophenol
OPENEYE Name: 2,6-dichloro-4-sulfanyl-phenol
IUPAC Name: 2,6-dichloro-4-sulfanylphenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-sulfanyl-phenol
MOLECULAR FORMULA: C6H4Cl2OS
MOLECULAR WEIGHT: 195.06636
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)S
Structure:
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