CAS RN: 5463-59-2
CAS Name: 1-propyl-3-pyridin-1-iumcarboxamide iodide
OPENEYE Name: 1-propylpyridin-1-ium-3-carboxamide iodide
IUPAC Name: 1-propylpyridin-1-ium-3-carboxamide iodide
SYSTEMATIC NAME: 1-propylpyridin-1-ium-3-carboxamide iodide
MOLECULAR FORMULA: C9H13IN2O
MOLECULAR WEIGHT: 292.11679
SMILES: CCC[N+]1=CC=CC(=C1)C(=O)N.[I-]
Structure:
CAS RN: 63767-88-4
CAS Name: (4-propylcyclohexyl)methanol
OPENEYE Name: (4-propylcyclohexyl)methanol
IUPAC Name: (4-propylcyclohexyl)methanol
SYSTEMATIC NAME: (4-propylcyclohexyl)methanol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCC1CCC(CC1)CO
Structure:
CAS RN: 21345-28-8
CAS Name: 4-(4-ethylphenyl)phenol
OPENEYE Name: 4-(4-ethylphenyl)phenol
IUPAC Name: 4-(4-ethylphenyl)phenol
SYSTEMATIC NAME: 4-(4-ethylphenyl)phenol
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)O
Structure:
CAS RN: 1001-62-3
CAS Name: methanesulfonic acid methylsulfonyloxy ester
OPENEYE Name: methylsulfonyloxy methanesulfonate
IUPAC Name: methylsulfonyloxy methanesulfonate
SYSTEMATIC NAME: methylsulfonyloxy methanesulfonate
MOLECULAR FORMULA: C2H6O6S2
MOLECULAR WEIGHT: 190.19544
SMILES: CS(=O)(=O)OOS(=O)(=O)C
Structure:
CAS RN: 16878-76-5
CAS Name: 1H-pteridine-2-thione
OPENEYE Name: 1H-pteridine-2-thione
IUPAC Name: 1H-pteridine-2-thione
SYSTEMATIC NAME: 1H-pteridine-2-thione
MOLECULAR FORMULA: C6H4N4S
MOLECULAR WEIGHT: 164.18776
SMILES: C1=CN=C2C(=N1)C=NC(=S)N2
Structure:
CAS RN: 127666-99-3
CAS Name: 2-chloro-4-methoxybenzonitrile
OPENEYE Name: 2-chloro-4-methoxy-benzonitrile
IUPAC Name: 2-chloro-4-methoxybenzonitrile
SYSTEMATIC NAME: 2-chloranyl-4-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H6ClNO
MOLECULAR WEIGHT: 167.59234
SMILES: COC1=CC(=C(C=C1)C#N)Cl
Structure:
CAS RN: 129822-47-5
CAS Name: 5-fluoro-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-fluoroindole-1-carboxylate
IUPAC Name: tert-butyl 5-fluoroindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-fluoranylindole-1-carboxylate
MOLECULAR FORMULA: C13H14FNO2
MOLECULAR WEIGHT: 235.254163
SMILES: CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)F
Structure:
CAS RN: 6276-64-8
CAS Name: 1-phenyl-2-(1-pyridin-1-iumyl)-1-propanone bromide
OPENEYE Name: 1-phenyl-2-pyridin-1-ium-1-yl-propan-1-one bromide
IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylpropan-1-one bromide
SYSTEMATIC NAME: 1-phenyl-2-pyridin-1-ium-1-yl-propan-1-one bromide
MOLECULAR FORMULA: C14H14BrNO
MOLECULAR WEIGHT: 292.17106
SMILES: CC(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2.[Br-]
Structure:
CAS RN: 22772-93-6
CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-1-phenylethanol bromide
OPENEYE Name: 2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-ethanol bromide
IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-1-phenylethanol bromide
SYSTEMATIC NAME: 2-(3-methylpyridin-1-ium-1-yl)-1-phenyl-ethanol bromide
MOLECULAR FORMULA: C14H16BrNO
MOLECULAR WEIGHT: 294.18694
SMILES: CC1=C[N+](=CC=C1)CC(C2=CC=CC=C2)O.[Br-]
Structure:
CAS RN: 4096-22-4
CAS Name: 4-[4-(4-morpholinyl)phenyl]morpholine
OPENEYE Name: 4-(4-morpholinophenyl)morpholine
IUPAC Name: 4-(4-morpholin-4-ylphenyl)morpholine
SYSTEMATIC NAME: 4-(4-morpholin-4-ylphenyl)morpholine
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: C1COCCN1C2=CC=C(C=C2)N3CCOCC3
Structure:
CAS RN: 126807-08-7
CAS Name: 3-bromo-4-nitro-1H-indole
OPENEYE Name: 3-bromo-4-nitro-1H-indole
IUPAC Name: 3-bromo-4-nitro-1H-indole
SYSTEMATIC NAME: 3-bromanyl-4-nitro-1H-indole
MOLECULAR FORMULA: C8H5BrN2O2
MOLECULAR WEIGHT: 241.0415
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)Br
Structure:
CAS RN: 129491-64-1
CAS Name: N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1R,2S,3S,4R)-1-benzyl-4-(tert-butoxycarbonylamino)-2,3-dihydroxy-5-phenyl-pentyl]carbamate
IUPAC Name: tert-butyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-diphenylhexan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2R,3S,4S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]carbamate
MOLECULAR FORMULA: C28H40N2O6
MOLECULAR WEIGHT: 500.627
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)[C@@H]([C@H]([C@@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O
Structure:
CAS RN: 39041-80-0
CAS Name: hydrazine; oxalic acid
OPENEYE Name: hydrazine; oxalic acid
IUPAC Name: hydrazine; oxalic acid
SYSTEMATIC NAME: diazane; ethanedioic acid
MOLECULAR FORMULA: C2H6N2O4
MOLECULAR WEIGHT: 122.08004
SMILES: C(=O)(C(=O)O)O.NN
Structure:
CAS RN: 125139-18-6
CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4E)-4-[(4-cyanoanilino)-oxomethyl]imino-6-[4-[ethyl(2-hydroxyethyl)amino]-2-methylanilino]-3-oxo-1-cyclohexa-1,5-dienyl]hexanamide
OPENEYE Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(4E)-4-[(4-cyanophenyl)carbamoylimino]-6-[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-anilino]-3-oxo-cyclohexa-1,5-dien-1-yl]hexanamide
IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4E)-4-[(4-cyanophenyl)carbamoylimino]-6-[4-[ethyl(2-hydroxyethyl)amino]-2-methylanilino]-3-oxocyclohexa-1,5-dien-1-yl]hexanamide
SYSTEMATIC NAME: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(4E)-4-[(4-cyanophenyl)carbamoylimino]-6-[[4-[ethyl(2-hydroxyethyl)amino]-2-methyl-phenyl]amino]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]hexanamide
MOLECULAR FORMULA: C47H60N6O5
MOLECULAR WEIGHT: 789.0165
SMILES: CCCCC(C(=O)NC1=CC(=O)/C(=N/C(=O)NC2=CC=C(C=C2)C#N)/C=C1NC3=C(C=C(C=C3)N(CC)CCO)C)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC
Structure:
CAS RN: 85154-05-8
CAS Name: tetrasodium 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfonatoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H38N10Na4O16S4
MOLECULAR WEIGHT: 1038.9206
SMILES: CN(CCS(=O)(=O)[O-])C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OCCOC)N(C)CCS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])OCCOC.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 82975-75-5
CAS Name: nitric acid [3-nitrooxy-2-(nitrooxymethyl)propyl] ester
OPENEYE Name: [3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
IUPAC Name: [3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
SYSTEMATIC NAME: [3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
MOLECULAR FORMULA: C4H7N3O9
MOLECULAR WEIGHT: 241.11308
SMILES: C(C(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]
Structure:
CAS RN: 84674-65-7
CAS Name: 1-[(4-tert-butylphenyl)thio]-5-(phenylthio)anthracene-9,10-dione
OPENEYE Name: 1-(4-tert-butylphenyl)sulfanyl-5-phenylsulfanyl-anthracene-9,10-dione
IUPAC Name: 1-(4-tert-butylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)sulfanyl-5-phenylsulfanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C30H24O2S2
MOLECULAR WEIGHT: 480.64036
SMILES: CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5
Structure:
CAS RN: 129211-90-1
CAS Name: 6-chloro-3-methylisothiazolo[5,4-b]pyridine
OPENEYE Name: 6-chloro-3-methyl-isothiazolo[5,4-b]pyridine
IUPAC Name: 6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine
SYSTEMATIC NAME: 6-chloranyl-3-methyl-[1,2]thiazolo[5,4-b]pyridine
MOLECULAR FORMULA: C7H5ClN2S
MOLECULAR WEIGHT: 184.646
SMILES: CC1=NSC2=C1C=CC(=N2)Cl
Structure:
CAS RN: 1903-26-0
CAS Name: 2-cyclododecylideneacetic acid ethyl ester
OPENEYE Name: ethyl 2-cyclododecylideneacetate
IUPAC Name: ethyl 2-cyclododecylideneacetate
SYSTEMATIC NAME: ethyl 2-cyclododecylideneethanoate
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CCOC(=O)C=C1CCCCCCCCCCC1
Structure:
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