CAS RN: 623-98-3
CAS Name: sulfurous acid dipropyl ester
OPENEYE Name: dipropyl sulfite
IUPAC Name: dipropyl sulfite
SYSTEMATIC NAME: dipropyl sulfite
MOLECULAR FORMULA: C6H14O3S
MOLECULAR WEIGHT: 166.23856
SMILES: CCCOS(=O)OCCC
Structure:
CAS RN: 622-73-1
CAS Name: N-[(4-methoxyphenyl)methylideneamino]aniline
OPENEYE Name: N-[(4-methoxyphenyl)methyleneamino]aniline
IUPAC Name: N-[(4-methoxyphenyl)methylideneamino]aniline
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methylideneamino]aniline
MOLECULAR FORMULA: C14H14N2O
MOLECULAR WEIGHT: 226.27376
SMILES: COC1=CC=C(C=C1)C=NNC2=CC=CC=C2
Structure:
CAS RN: 622-63-9
CAS Name: 1-(ethylthio)-4-methylbenzene
OPENEYE Name: 1-ethylsulfanyl-4-methyl-benzene
IUPAC Name: 1-ethylsulfanyl-4-methylbenzene
SYSTEMATIC NAME: 1-ethylsulfanyl-4-methyl-benzene
MOLECULAR FORMULA: C9H12S
MOLECULAR WEIGHT: 152.25658
SMILES: CCSC1=CC=C(C=C1)C
Structure:
CAS RN: 622-14-0
CAS Name: N,N'-diphenylmethanediamine
OPENEYE Name: N,N'-diphenylmethanediamine
IUPAC Name: N,N'-diphenylmethanediamine
SYSTEMATIC NAME: N,N'-diphenylmethanediamine
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1=CC=C(C=C1)NCNC2=CC=CC=C2
Structure:
CAS RN: 620-86-0
CAS Name: 4-(phenylmethyl)benzoic acid
OPENEYE Name: 4-benzylbenzoic acid
IUPAC Name: 4-benzylbenzoic acid
SYSTEMATIC NAME: 4-(phenylmethyl)benzoic acid
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 620-50-8
CAS Name: 1,3-bis(3-methylphenyl)urea
OPENEYE Name: 1,3-bis(m-tolyl)urea
IUPAC Name: 1,3-bis(3-methylphenyl)urea
SYSTEMATIC NAME: 1,3-bis(3-methylphenyl)urea
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)C
Structure:
CAS RN: 620-47-3
CAS Name: 1-methyl-3-(phenylmethyl)benzene
OPENEYE Name: 1-benzyl-3-methyl-benzene
IUPAC Name: 1-benzyl-3-methylbenzene
SYSTEMATIC NAME: 1-methyl-3-(phenylmethyl)benzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: CC1=CC(=CC=C1)CC2=CC=CC=C2
Structure:
CAS RN: 620-16-6
CAS Name: 1-chloro-3-ethylbenzene
OPENEYE Name: 1-chloro-3-ethyl-benzene
IUPAC Name: 1-chloro-3-ethylbenzene
SYSTEMATIC NAME: 1-chloranyl-3-ethyl-benzene
MOLECULAR FORMULA: C8H9Cl
MOLECULAR WEIGHT: 140.61006
SMILES: CCC1=CC(=CC=C1)Cl
Structure:
CAS RN: 618-97-3
CAS Name: 1-[3-(trifluoromethyl)phenyl]-1-propanol
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]propan-1-ol
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]propan-1-ol
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]propan-1-ol
MOLECULAR FORMULA: C10H11F3O
MOLECULAR WEIGHT: 204.18895
SMILES: CCC(C1=CC(=CC=C1)C(F)(F)F)O
Structure:
CAS RN: 618-38-2
CAS Name: benzoyl iodide
OPENEYE Name: benzoyl iodide
IUPAC Name: benzoyl iodide
SYSTEMATIC NAME: benzoyl iodide
MOLECULAR FORMULA: C7H5IO
MOLECULAR WEIGHT: 232.01847
SMILES: C1=CC=C(C=C1)C(=O)I
Structure:
CAS RN: 617-00-5
CAS Name: 2-methyl-N-(2-methylphenyl)aniline
OPENEYE Name: 2-methyl-N-(o-tolyl)aniline
IUPAC Name: 2-methyl-N-(2-methylphenyl)aniline
SYSTEMATIC NAME: 2-methyl-N-(2-methylphenyl)aniline
MOLECULAR FORMULA: C14H15N
MOLECULAR WEIGHT: 197.2756
SMILES: CC1=CC=CC=C1NC2=CC=CC=C2C
Structure:
CAS RN: 616-10-4
CAS Name: bicyclo[4.2.0]oct-7-ene
OPENEYE Name: bicyclo[4.2.0]oct-7-ene
IUPAC Name: bicyclo[4.2.0]oct-7-ene
SYSTEMATIC NAME: bicyclo[4.2.0]oct-7-ene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CCC2C=CC2C1
Structure:
CAS RN: 3806-82-4
CAS Name: bicyclo[4.2.0]oct-7-ene
OPENEYE Name: bicyclo[4.2.0]oct-7-ene
IUPAC Name: bicyclo[4.2.0]oct-7-ene
SYSTEMATIC NAME: bicyclo[4.2.0]oct-7-ene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CCC2C=CC2C1
Structure:
CAS RN: 1162-82-9
CAS Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)OC)OC
Structure:
CAS RN: 1157-39-7
CAS Name: 7-methoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C17H14O4
MOLECULAR WEIGHT: 282.29066
SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
Structure:
CAS RN: 1180-46-7
CAS Name: acetic acid [4-(5,6,7-triacetyloxy-4-oxo-1-benzopyran-2-yl)phenyl] ester
OPENEYE Name: [4-(5,6,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] acetate
IUPAC Name: [4-(5,6,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate
SYSTEMATIC NAME: [4-(5,6,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] ethanoate
MOLECULAR FORMULA: C23H18O10
MOLECULAR WEIGHT: 454.38302
SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 1176-88-1
CAS Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-3,6,7,8-tetramethoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C21H22O9
MOLECULAR WEIGHT: 418.39398
SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC)OC)OC
Structure:
CAS RN: 614-76-6
CAS Name: N-(2-bromophenyl)acetamide
OPENEYE Name: N-(2-bromophenyl)acetamide
IUPAC Name: N-(2-bromophenyl)acetamide
SYSTEMATIC NAME: N-(2-bromophenyl)ethanamide
MOLECULAR FORMULA: C8H8BrNO
MOLECULAR WEIGHT: 214.05922
SMILES: CC(=O)NC1=CC=CC=C1Br
Structure:
CAS RN: 614-73-3
CAS Name: 1-ethoxy-2-iodobenzene
OPENEYE Name: 1-ethoxy-2-iodo-benzene
IUPAC Name: 1-ethoxy-2-iodobenzene
SYSTEMATIC NAME: 1-ethoxy-2-iodanyl-benzene
MOLECULAR FORMULA: C8H9IO
MOLECULAR WEIGHT: 248.06093
SMILES: CCOC1=CC=CC=C1I
Structure:
CAS RN: 614-71-1
CAS Name: 1-ethoxy-2-methylbenzene
OPENEYE Name: 1-ethoxy-2-methyl-benzene
IUPAC Name: 1-ethoxy-2-methylbenzene
SYSTEMATIC NAME: 1-ethoxy-2-methyl-benzene
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CCOC1=CC=CC=C1C
Structure:
CAS RN: 614-28-8
CAS Name: N-benzoylbenzamide
OPENEYE Name: N-benzoylbenzamide
IUPAC Name: N-benzoylbenzamide
SYSTEMATIC NAME: N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)C(=O)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 612-55-5
CAS Name: 2-iodonaphthalene
OPENEYE Name: 2-iodonaphthalene
IUPAC Name: 2-iodonaphthalene
SYSTEMATIC NAME: 2-iodanylnaphthalene
MOLECULAR FORMULA: C10H7I
MOLECULAR WEIGHT: 254.06705
SMILES: C1=CC=C2C=C(C=CC2=C1)I
Structure:
CAS RN: 611-48-3
CAS Name: 1-(2-naphthalenylmethyl)naphthalene
OPENEYE Name: 1-(2-naphthylmethyl)naphthalene
IUPAC Name: 1-(naphthalen-2-ylmethyl)naphthalene
SYSTEMATIC NAME: 1-(naphthalen-2-ylmethyl)naphthalene
MOLECULAR FORMULA: C21H16
MOLECULAR WEIGHT: 268.35174
SMILES: C1=CC=C2C=C(C=CC2=C1)CC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 611-38-1
CAS Name: dinitromethylbenzene
OPENEYE Name: dinitromethylbenzene
IUPAC Name: dinitromethylbenzene
SYSTEMATIC NAME: dinitromethylbenzene
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: C1=CC=C(C=C1)C([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 611-12-1
CAS Name: 2-(diethylamino)-1-propanol
OPENEYE Name: 2-(diethylamino)propan-1-ol
IUPAC Name: 2-(diethylamino)propan-1-ol
SYSTEMATIC NAME: 2-(diethylamino)propan-1-ol
MOLECULAR FORMULA: C7H17NO
MOLECULAR WEIGHT: 131.21598
SMILES: CCN(CC)C(C)CO
Structure:
CAS RN: 610-41-3
CAS Name: 3,4-dinitroaniline
OPENEYE Name: 3,4-dinitroaniline
IUPAC Name: 3,4-dinitroaniline
SYSTEMATIC NAME: 3,4-dinitroaniline
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 607-86-3
CAS Name: 2-methylbenzoic acid [(2-methylphenyl)-oxomethyl] ester
OPENEYE Name: (2-methylbenzoyl) 2-methylbenzoate
IUPAC Name: (2-methylbenzoyl) 2-methylbenzoate
SYSTEMATIC NAME: (2-methylphenyl)carbonyl 2-methylbenzoate
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2C
Structure:
CAS RN: 607-58-9
CAS Name: 1-phenylmethoxynaphthalene
OPENEYE Name: 1-benzyloxynaphthalene
IUPAC Name: 1-phenylmethoxynaphthalene
SYSTEMATIC NAME: 1-phenylmethoxynaphthalene
MOLECULAR FORMULA: C17H14O
MOLECULAR WEIGHT: 234.29246
SMILES: C1=CC=C(C=C1)COC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 607-23-8
CAS Name: 2-nitro-1-naphthalenamine
OPENEYE Name: 2-nitronaphthalen-1-amine
IUPAC Name: 2-nitronaphthalen-1-amine
SYSTEMATIC NAME: 2-nitronaphthalen-1-amine
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC=C2C(=C1)C=CC(=C2N)[N+](=O)[O-]
Structure:
CAS RN: 604-45-5
CAS Name: N2,N4,N6,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
OPENEYE Name: N2,N4,N6,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
IUPAC Name: 2-N,4-N,6-N,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
SYSTEMATIC NAME: N2,N4,N6,1,3,5-hexakis-phenyl-1,3,5-triazinane-2,4,6-triimine
MOLECULAR FORMULA: C39H30N6
MOLECULAR WEIGHT: 582.6957
SMILES: C1=CC=C(C=C1)N=C2N(C(=NC3=CC=CC=C3)N(C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 602-88-0
CAS Name: N,N-dibenzoylbenzamide
OPENEYE Name: N,N-dibenzoylbenzamide
IUPAC Name: N,N-dibenzoylbenzamide
SYSTEMATIC NAME: N,N-bis(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: C1=CC=C(C=C1)C(=O)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 602-03-9
CAS Name: 2,3-dinitroaniline
OPENEYE Name: 2,3-dinitroaniline
IUPAC Name: 2,3-dinitroaniline
SYSTEMATIC NAME: 2,3-dinitroaniline
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N
Structure:
CAS RN: 26471-56-7
CAS Name: 2,3-dinitroaniline
OPENEYE Name: 2,3-dinitroaniline
IUPAC Name: 2,3-dinitroaniline
SYSTEMATIC NAME: 2,3-dinitroaniline
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N
Structure:
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