CAS RN: 7596-93-2
CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2-hydroxy-2-phenylacetic acid
OPENEYE Name: 2-benzylisothiourea; 2-hydroxy-2-phenyl-acetic acid
IUPAC Name: benzyl carbamimidothioate; 2-hydroxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-oxidanyl-2-phenyl-ethanoic acid; (phenylmethyl) carbamimidothioate
MOLECULAR FORMULA: C16H18N2O3S
MOLECULAR WEIGHT: 318.39072
SMILES: C1=CC=C(C=C1)CSC(=N)N.C1=CC=C(C=C1)C(C(=O)O)O
Structure:
CAS RN: 2151-66-8
CAS Name: carbamimidothioic acid (phenylmethyl) ester; heptanoic acid
OPENEYE Name: 2-benzylisothiourea; heptanoic acid
IUPAC Name: benzyl carbamimidothioate; heptanoic acid
SYSTEMATIC NAME: heptanoic acid; (phenylmethyl) carbamimidothioate
MOLECULAR FORMULA: C15H24N2O2S
MOLECULAR WEIGHT: 296.42826
SMILES: CCCCCCC(=O)O.C1=CC=C(C=C1)CSC(=N)N
Structure:
CAS RN: 13296-85-0
CAS Name: 3-methylaniline; 2,4,6-trinitrophenol
OPENEYE Name: 3-methylaniline; picric acid
IUPAC Name: 3-methylaniline; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 3-methylaniline; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C13H12N4O7
MOLECULAR WEIGHT: 336.25698
SMILES: CC1=CC(=CC=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 10530-56-0
CAS Name: 3-chloroaniline; 2,4,6-trinitrophenol
OPENEYE Name: 3-chloroaniline; picric acid
IUPAC Name: 3-chloroaniline; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 3-chloranylaniline; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C12H9ClN4O7
MOLECULAR WEIGHT: 356.67546
SMILES: C1=CC(=CC(=C1)Cl)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 592-64-3
CAS Name: (2-methylpropylideneamino)urea
OPENEYE Name: (2-methylpropylideneamino)urea
IUPAC Name: (2-methylpropylideneamino)urea
SYSTEMATIC NAME: 1-(2-methylpropylideneamino)urea
MOLECULAR FORMULA: C5H11N3O
MOLECULAR WEIGHT: 129.16034
SMILES: CC(C)C=NNC(=O)N
Structure:
CAS RN: 7510-40-9
CAS Name: 1-(4-hydroxyphenyl)-3-(3-methyl-1-piperidinyl)-1-propanone
OPENEYE Name: 1-(4-hydroxyphenyl)-3-(3-methyl-1-piperidyl)propan-1-one
IUPAC Name: 1-(4-hydroxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CC1CCCN(C1)CCC(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 7596-16-9
CAS Name: 3-(4-methyl-1-piperidinyl)-1-(4-nitrophenyl)-1-propanone
OPENEYE Name: 3-(4-methyl-1-piperidyl)-1-(4-nitrophenyl)propan-1-one
IUPAC Name: 3-(4-methylpiperidin-1-yl)-1-(4-nitrophenyl)propan-1-one
SYSTEMATIC NAME: 3-(4-methylpiperidin-1-yl)-1-(4-nitrophenyl)propan-1-one
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CC1CCN(CC1)CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7510-38-5
CAS Name: 1-(4-chlorophenyl)-3-(4-methyl-1-piperidinyl)-1-propanone
OPENEYE Name: 1-(4-chlorophenyl)-3-(4-methyl-1-piperidyl)propan-1-one
IUPAC Name: 1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: CC1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 7510-35-2
CAS Name: 1-benzoyl-2-oxo-1,7b-dihydrocyclopropa[c][1]benzopyran-1a-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-benzoyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a-carboxylate
IUPAC Name: ethyl 1-benzoyl-2-oxo-1,7b-dihydrocyclopropa[c]chromene-1a-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-1-(phenylcarbonyl)-1,7b-dihydrocyclopropa[c]chromene-1a-carboxylate
MOLECULAR FORMULA: C20H16O5
MOLECULAR WEIGHT: 336.33804
SMILES: CCOC(=O)C12C(C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4OC2=O
Structure:
CAS RN: 54531-01-0
CAS Name: dodecanoic acid (6-propyl-1,3-benzodioxol-5-yl)methyl ester
OPENEYE Name: (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate
IUPAC Name: (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate
SYSTEMATIC NAME: (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate
MOLECULAR FORMULA: C23H36O4
MOLECULAR WEIGHT: 376.52954
SMILES: CCCCCCCCCCCC(=O)OCC1=CC2=C(C=C1CCC)OCO2
Structure:
CAS RN: 15024-11-0
CAS Name: 4-nitrobenzoic acid (4-methylphenyl) ester
OPENEYE Name: p-tolyl 4-nitrobenzoate
IUPAC Name: (4-methylphenyl) 4-nitrobenzoate
SYSTEMATIC NAME: (4-methylphenyl) 4-nitrobenzoate
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 813-99-0
CAS Name: 3-chloro-2,2-bis(chloromethyl)-1-propanol
OPENEYE Name: 3-chloro-2,2-bis(chloromethyl)propan-1-ol
IUPAC Name: 3-chloro-2,2-bis(chloromethyl)propan-1-ol
SYSTEMATIC NAME: 3-chloranyl-2,2-bis(chloromethyl)propan-1-ol
MOLECULAR FORMULA: C5H9Cl3O
MOLECULAR WEIGHT: 191.48336
SMILES: C(C(CCl)(CCl)CCl)O
Structure:
CAS RN: 7702-78-5
CAS Name: 2-[2-(diphenylmethyl)phenyl]-2-propanol
OPENEYE Name: 2-(2-benzhydrylphenyl)propan-2-ol
IUPAC Name: 2-(2-benzhydrylphenyl)propan-2-ol
SYSTEMATIC NAME: 2-[2-(diphenylmethyl)phenyl]propan-2-ol
MOLECULAR FORMULA: C22H22O
MOLECULAR WEIGHT: 302.40948
SMILES: CC(C)(C1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3)O
Structure:
CAS RN: 7510-32-9
CAS Name: diphenyl-(2-propan-2-ylphenyl)methanol
OPENEYE Name: (2-isopropylphenyl)-diphenyl-methanol
IUPAC Name: diphenyl-(2-propan-2-ylphenyl)methanol
SYSTEMATIC NAME: diphenyl-(2-propan-2-ylphenyl)methanol
MOLECULAR FORMULA: C22H22O
MOLECULAR WEIGHT: 302.40948
SMILES: CC(C)C1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 739-45-7
CAS Name: 10,10-dimethyl-9-phenyl-9H-anthracene
OPENEYE Name: 10,10-dimethyl-9-phenyl-9H-anthracene
IUPAC Name: 10,10-dimethyl-9-phenyl-9H-anthracene
SYSTEMATIC NAME: 10,10-dimethyl-9-phenyl-9H-anthracene
MOLECULAR FORMULA: C22H20
MOLECULAR WEIGHT: 284.3942
SMILES: CC1(C2=CC=CC=C2C(C3=CC=CC=C31)C4=CC=CC=C4)C
Structure:
CAS RN: 602-50-6
CAS Name: 2-(diphenylmethyl)benzoic acid
OPENEYE Name: 2-benzhydrylbenzoic acid
IUPAC Name: 2-benzhydrylbenzoic acid
SYSTEMATIC NAME: 2-(diphenylmethyl)benzoic acid
MOLECULAR FORMULA: C20H16O2
MOLECULAR WEIGHT: 288.33984
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 7510-30-7
CAS Name: 2,4,6-tripentyl-1,3,5-trioxane
OPENEYE Name: 2,4,6-tripentyl-1,3,5-trioxane
IUPAC Name: 2,4,6-tripentyl-1,3,5-trioxane
SYSTEMATIC NAME: 2,4,6-tripentyl-1,3,5-trioxane
MOLECULAR FORMULA: C18H36O3
MOLECULAR WEIGHT: 300.47664
SMILES: CCCCCC1OC(OC(O1)CCCCC)CCCCC
Structure:
CAS RN: 7510-29-4
CAS Name: 2,4,6-tributyl-1,3,5-trioxane
OPENEYE Name: 2,4,6-tributyl-1,3,5-trioxane
IUPAC Name: 2,4,6-tributyl-1,3,5-trioxane
SYSTEMATIC NAME: 2,4,6-tributyl-1,3,5-trioxane
MOLECULAR FORMULA: C15H30O3
MOLECULAR WEIGHT: 258.3969
SMILES: CCCCC1OC(OC(O1)CCCC)CCCC
Structure:
CAS RN: 7596-14-7
CAS Name: 1-[6-(4-ethoxycarbonyl-2,3-dioxo-1-pyrrolidinyl)hexyl]-4,5-dioxo-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxo-pyrrolidin-1-yl)hexyl]-4,5-dioxo-pyrrolidine-3-carboxylate
IUPAC Name: ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)hexyl]-4,5-dioxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[6-[4-ethoxycarbonyl-2,3-bis(oxidanylidene)pyrrolidin-1-yl]hexyl]-4,5-bis(oxidanylidene)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C20H28N2O8
MOLECULAR WEIGHT: 424.44492
SMILES: CCOC(=O)C1CN(C(=O)C1=O)CCCCCCN2CC(C(=O)C2=O)C(=O)OCC
Structure:
CAS RN: 7510-25-0
CAS Name: 1-butyl-4,5-dioxopyrrolidine-2,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 1-butyl-4,5-dioxo-pyrrolidine-2,3-dicarboxylate
IUPAC Name: diethyl 1-butyl-4,5-dioxopyrrolidine-2,3-dicarboxylate
SYSTEMATIC NAME: diethyl 1-butyl-4,5-bis(oxidanylidene)pyrrolidine-2,3-dicarboxylate
MOLECULAR FORMULA: C14H21NO6
MOLECULAR WEIGHT: 299.31964
SMILES: CCCCN1C(C(C(=O)C1=O)C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 7510-24-9
CAS Name: 1-tert-butyl-4,5-dioxo-3-pyrrolidinecarbonitrile
OPENEYE Name: 1-tert-butyl-4,5-dioxo-pyrrolidine-3-carbonitrile
IUPAC Name: 1-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
SYSTEMATIC NAME: 1-tert-butyl-4,5-bis(oxidanylidene)pyrrolidine-3-carbonitrile
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CC(C)(C)N1CC(C(=O)C1=O)C#N
Structure:
CAS RN: 7510-23-8
CAS Name: 1-tert-butylpyrrolidine-2,3-dione
OPENEYE Name: 1-tert-butylpyrrolidine-2,3-dione
IUPAC Name: 1-tert-butylpyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-tert-butylpyrrolidine-2,3-dione
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CC(C)(C)N1CCC(=O)C1=O
Structure:
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