CAS RN: 7497-70-3
CAS Name: 2,2,2-trichloroacetic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester
OPENEYE Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2,2,2-trichloroacetate
IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 2,2,2-trichloroacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C16H11Cl3O3
MOLECULAR WEIGHT: 357.61574
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 7497-69-0
CAS Name: 3-oxo-3-(4-phenylphenyl)propanoic acid
OPENEYE Name: 3-oxo-3-(4-phenylphenyl)propanoic acid
IUPAC Name: 3-oxo-3-(4-phenylphenyl)propanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-(4-phenylphenyl)propanoic acid
MOLECULAR FORMULA: C15H12O3
MOLECULAR WEIGHT: 240.25398
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(=O)O
Structure:
CAS RN: 4421-77-6
CAS Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trichloroethyl]benzene
OPENEYE Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trichloro-ethyl]benzene
IUPAC Name: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trichloroethyl]benzene
SYSTEMATIC NAME: 1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-tris(chloranyl)ethyl]benzene
MOLECULAR FORMULA: C22H27Cl3
MOLECULAR WEIGHT: 397.80878
SMILES: CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)C(Cl)(Cl)Cl
Structure:
CAS RN: 88216-63-1
CAS Name: 2-ethylbutanoic acid 2-(2-ethyl-1-oxobutoxy)ethyl ester
OPENEYE Name: 2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
IUPAC Name: 2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
SYSTEMATIC NAME: 2-(2-ethylbutanoyloxy)ethyl 2-ethylbutanoate
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CCC(CC)C(=O)OCCOC(=O)C(CC)CC
Structure:
CAS RN: 69833-29-0
CAS Name: N-pentyl-N-phenylpropanamide
OPENEYE Name: N-pentyl-N-phenyl-propanamide
IUPAC Name: N-pentyl-N-phenylpropanamide
SYSTEMATIC NAME: N-pentyl-N-phenyl-propanamide
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCCCN(C1=CC=CC=C1)C(=O)CC
Structure:
CAS RN: 7598-44-9
CAS Name: 3-methyl-3-phenyl-2-oxiranecarboxylic acid 2-ethoxyethyl ester
OPENEYE Name: 2-ethoxyethyl 3-methyl-3-phenyl-oxirane-2-carboxylate
IUPAC Name: 2-ethoxyethyl 3-methyl-3-phenyloxirane-2-carboxylate
SYSTEMATIC NAME: 2-ethoxyethyl 3-methyl-3-phenyl-oxirane-2-carboxylate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCOCCOC(=O)C1C(O1)(C)C2=CC=CC=C2
Structure:
CAS RN: 57259-47-9
CAS Name: N-pentyl-N-phenylacetamide
OPENEYE Name: N-pentyl-N-phenyl-acetamide
IUPAC Name: N-pentyl-N-phenylacetamide
SYSTEMATIC NAME: N-pentyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CCCCCN(C1=CC=CC=C1)C(=O)C
Structure:
CAS RN: 63021-02-3
CAS Name: propanoic acid 1,2,3,4-tetrahydronaphthalen-2-yl ester
OPENEYE Name: tetralin-2-yl propanoate
IUPAC Name: 1,2,3,4-tetrahydronaphthalen-2-yl propanoate
SYSTEMATIC NAME: 1,2,3,4-tetrahydronaphthalen-2-yl propanoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CCC(=O)OC1CCC2=CC=CC=C2C1
Structure:
CAS RN: 7497-64-5
CAS Name: 3-methyl-3-phenyl-2-oxiranecarboxylic acid prop-2-enyl ester
OPENEYE Name: allyl 3-methyl-3-phenyl-oxirane-2-carboxylate
IUPAC Name: prop-2-enyl 3-methyl-3-phenyloxirane-2-carboxylate
SYSTEMATIC NAME: prop-2-enyl 3-methyl-3-phenyl-oxirane-2-carboxylate
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC1(C(O1)C(=O)OCC=C)C2=CC=CC=C2
Structure:
CAS RN: 584-32-7
CAS Name: 2,4,6-trichloro-3-[(2,4,6-trichloro-3-hydroxyphenyl)methyl]phenol
OPENEYE Name: 2,4,6-trichloro-3-[(2,4,6-trichloro-3-hydroxy-phenyl)methyl]phenol
IUPAC Name: 2,4,6-trichloro-3-[(2,4,6-trichloro-3-hydroxyphenyl)methyl]phenol
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-3-[[2,4,6-tris(chloranyl)-3-oxidanyl-phenyl]methyl]phenol
MOLECULAR FORMULA: C13H6Cl6O2
MOLECULAR WEIGHT: 406.90354
SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)CC2=C(C(=C(C=C2Cl)Cl)O)Cl)Cl
Structure:
CAS RN: 29664-64-0
CAS Name: 3-hydroxy-3-methyl-N,N-dipropylpentanamide
OPENEYE Name: 3-hydroxy-3-methyl-N,N-dipropyl-pentanamide
IUPAC Name: 3-hydroxy-3-methyl-N,N-dipropylpentanamide
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-N,N-dipropyl-pentanamide
MOLECULAR FORMULA: C12H25NO2
MOLECULAR WEIGHT: 215.3324
SMILES: CCCN(CCC)C(=O)CC(C)(CC)O
Structure:
CAS RN: 18618-89-8
CAS Name: butanoic acid (2-ethyl-3-hydroxyhexyl) ester
OPENEYE Name: (2-ethyl-3-hydroxy-hexyl) butanoate
IUPAC Name: (2-ethyl-3-hydroxyhexyl) butanoate
SYSTEMATIC NAME: (2-ethyl-3-oxidanyl-hexyl) butanoate
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CCCC(C(CC)COC(=O)CCC)O
Structure:
CAS RN: 18295-02-8
CAS Name: 2-hydroxyoctanoic acid butyl ester
OPENEYE Name: butyl 2-hydroxyoctanoate
IUPAC Name: butyl 2-hydroxyoctanoate
SYSTEMATIC NAME: butyl 2-oxidanyloctanoate
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CCCCCCC(C(=O)OCCCC)O
Structure:
CAS RN: 27078-63-3
CAS Name: 2-(4-butoxyphenyl)ethanol
OPENEYE Name: 2-(4-butoxyphenyl)ethanol
IUPAC Name: 2-(4-butoxyphenyl)ethanol
SYSTEMATIC NAME: 2-(4-butoxyphenyl)ethanol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CCCCOC1=CC=C(C=C1)CCO
Structure:
CAS RN: 50618-81-0
CAS Name: N-butyl-2-oxo-2-(phenylhydrazo)acetamide
OPENEYE Name: N-butyl-2-oxo-2-(2-phenylhydrazino)acetamide
IUPAC Name: N-butyl-2-oxo-2-(2-phenylhydrazinyl)acetamide
SYSTEMATIC NAME: N-butyl-2-oxidanylidene-2-(2-phenylhydrazinyl)ethanamide
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CCCCNC(=O)C(=O)NNC1=CC=CC=C1
Structure:
CAS RN: 27751-80-0
CAS Name: 3-hydroxy-3-phenylpropanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 3-hydroxy-3-phenyl-propanoate
IUPAC Name: propan-2-yl 3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: propan-2-yl 3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)OC(=O)CC(C1=CC=CC=C1)O
Structure:
CAS RN: 27648-87-9
CAS Name: 2-[2-(2-methoxy-2-oxoethoxy)phenoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[2-(2-methoxy-2-oxo-ethoxy)phenoxy]acetate
IUPAC Name: methyl 2-[2-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SYSTEMATIC NAME: methyl 2-[2-(2-methoxy-2-oxidanylidene-ethoxy)phenoxy]ethanoate
MOLECULAR FORMULA: C12H14O6
MOLECULAR WEIGHT: 254.23596
SMILES: COC(=O)COC1=CC=CC=C1OCC(=O)OC
Structure:
CAS RN: 14313-91-8
CAS Name: N-ethyl-N-phenylpropanamide
OPENEYE Name: N-ethyl-N-phenyl-propanamide
IUPAC Name: N-ethyl-N-phenylpropanamide
SYSTEMATIC NAME: N-ethyl-N-phenyl-propanamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CCC(=O)N(CC)C1=CC=CC=C1
Structure:
CAS RN: 65079-44-9
CAS Name: 2-(4-chlorophenyl)-3-methyl-1-butanol
OPENEYE Name: 2-(4-chlorophenyl)-3-methyl-butan-1-ol
IUPAC Name: 2-(4-chlorophenyl)-3-methylbutan-1-ol
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-methyl-butan-1-ol
MOLECULAR FORMULA: C11H15ClO
MOLECULAR WEIGHT: 198.6892
SMILES: CC(C)C(CO)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 4064-91-9
CAS Name: 5-methyl-5-nitro-2-phenyl-1,3-dioxane
OPENEYE Name: 5-methyl-5-nitro-2-phenyl-1,3-dioxane
IUPAC Name: 5-methyl-5-nitro-2-phenyl-1,3-dioxane
SYSTEMATIC NAME: 5-methyl-5-nitro-2-phenyl-1,3-dioxane
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC1(COC(OC1)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 4169-19-1
CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
OPENEYE Name: 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC(=O)N1CCCC2=CC=CC=C21
Structure:
CAS RN: 27942-64-9
CAS Name: 4-chlorobenzoic acid butyl ester
OPENEYE Name: butyl 4-chlorobenzoate
IUPAC Name: butyl 4-chlorobenzoate
SYSTEMATIC NAME: butyl 4-chloranylbenzoate
MOLECULAR FORMULA: C11H13ClO2
MOLECULAR WEIGHT: 212.67272
SMILES: CCCCOC(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 38002-87-8
CAS Name: 2-(2-methylprop-2-enoxy)benzaldehyde
OPENEYE Name: 2-(2-methylallyloxy)benzaldehyde
IUPAC Name: 2-(2-methylprop-2-enoxy)benzaldehyde
SYSTEMATIC NAME: 2-(2-methylprop-2-enoxy)benzaldehyde
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=C)COC1=CC=CC=C1C=O
Structure:
CAS RN: 7497-63-4
CAS Name: 4-(diethylamino)-4-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-(diethylamino)-4-oxo-butanoate
IUPAC Name: ethyl 4-(diethylamino)-4-oxobutanoate
SYSTEMATIC NAME: ethyl 4-(diethylamino)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CCN(CC)C(=O)CCC(=O)OCC
Structure:
CAS RN: 42024-49-7
CAS Name: 2-cyanoacetic acid (4-methylcyclohexyl) ester
OPENEYE Name: (4-methylcyclohexyl) 2-cyanoacetate
IUPAC Name: (4-methylcyclohexyl) 2-cyanoacetate
SYSTEMATIC NAME: (4-methylcyclohexyl) 2-cyanoethanoate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC1CCC(CC1)OC(=O)CC#N
Structure:
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