CAS RN: 1714-27-8
CAS Name: 2-bromopyrene
OPENEYE Name: 2-bromopyrene
IUPAC Name: 2-bromopyrene
SYSTEMATIC NAME: 2-bromanylpyrene
MOLECULAR FORMULA: C16H9Br
MOLECULAR WEIGHT: 281.14666
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)Br)C=C2
Structure:
CAS RN: 1707-32-0
CAS Name: N-(1-hydroxy-2-naphthalenyl)formamide
OPENEYE Name: N-(1-hydroxy-2-naphthyl)formamide
IUPAC Name: N-(1-hydroxynaphthalen-2-yl)formamide
SYSTEMATIC NAME: N-(1-oxidanylnaphthalen-2-yl)methanamide
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C2C(=C1)C=CC(=C2O)NC=O
Structure:
CAS RN: 1704-28-5
CAS Name: 4-dodecyl-2,6-dimethylmorpholine
OPENEYE Name: 4-dodecyl-2,6-dimethyl-morpholine
IUPAC Name: 4-dodecyl-2,6-dimethylmorpholine
SYSTEMATIC NAME: 4-dodecyl-2,6-dimethyl-morpholine
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCN1CC(OC(C1)C)C
Structure:
CAS RN: 91315-15-0
CAS Name: 4-dodecyl-2,6-dimethylmorpholine
OPENEYE Name: 4-dodecyl-2,6-dimethyl-morpholine
IUPAC Name: 4-dodecyl-2,6-dimethylmorpholine
SYSTEMATIC NAME: 4-dodecyl-2,6-dimethyl-morpholine
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCN1CC(OC(C1)C)C
Structure:
CAS RN: 1691-65-2
CAS Name: 1-fluoropyrene
OPENEYE Name: 1-fluoropyrene
IUPAC Name: 1-fluoropyrene
SYSTEMATIC NAME: 1-fluoranylpyrene
MOLECULAR FORMULA: C16H9F
MOLECULAR WEIGHT: 220.241063
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)F
Structure:
CAS RN: 1689-88-9
CAS Name: 3-chloro-4-hydroxy-5-nitrobenzonitrile
OPENEYE Name: 3-chloro-4-hydroxy-5-nitro-benzonitrile
IUPAC Name: 3-chloro-4-hydroxy-5-nitrobenzonitrile
SYSTEMATIC NAME: 3-chloranyl-5-nitro-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3ClN2O3
MOLECULAR WEIGHT: 198.56332
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)C#N
Structure:
CAS RN: 1655-45-4
CAS Name: disodium naphthalene-2,6-disulfonate
OPENEYE Name: disodium naphthalene-2,6-disulfonate
IUPAC Name: disodium naphthalene-2,6-disulfonate
SYSTEMATIC NAME: disodium naphthalene-2,6-disulfonate
MOLECULAR FORMULA: C10H6Na2O6S2
MOLECULAR WEIGHT: 332.26058
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 1647-12-7
CAS Name: 2-methyl-3-butenoic acid ethyl ester
OPENEYE Name: ethyl 2-methylbut-3-enoate
IUPAC Name: ethyl 2-methylbut-3-enoate
SYSTEMATIC NAME: ethyl 2-methylbut-3-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC(=O)C(C)C=C
Structure:
CAS RN: 1642-79-1
CAS Name: 1-(2,3-dimethyl-6-benzofuranyl)ethanone
OPENEYE Name: 1-(2,3-dimethylbenzofuran-6-yl)ethanone
IUPAC Name: 1-(2,3-dimethyl-1-benzofuran-6-yl)ethanone
SYSTEMATIC NAME: 1-(2,3-dimethyl-1-benzofuran-6-yl)ethanone
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC1=C(OC2=C1C=CC(=C2)C(=O)C)C
Structure:
CAS RN: 102381-25-9
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 152618-11-6
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 159704-21-9
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 1641-93-6
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 56573-46-7
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 61789-71-7
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 8043-48-9
CAS Name: dimethyl-(phenylmethyl)-tridecylammonium chloride
OPENEYE Name: benzyl-dimethyl-tridecyl-ammonium chloride
IUPAC Name: benzyl-dimethyl-tridecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tridecyl-azanium chloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 1627-28-7
CAS Name: 6-chloro-5-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-chloro-5-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-chloro-5-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-5-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5ClN2O2
MOLECULAR WEIGHT: 160.5584
SMILES: CC1=C(NC(=O)NC1=O)Cl
Structure:
CAS RN: 1620-00-4
CAS Name: 2-(3H-inden-1-yl)acetic acid
OPENEYE Name: 2-(3H-inden-1-yl)acetic acid
IUPAC Name: 2-(3H-inden-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3H-inden-1-yl)ethanoic acid
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: C1C=C(C2=CC=CC=C21)CC(=O)O
Structure:
CAS RN: 1617-19-2
CAS Name: 3-methyl-3-butenoic acid ethyl ester
OPENEYE Name: ethyl 3-methylbut-3-enoate
IUPAC Name: ethyl 3-methylbut-3-enoate
SYSTEMATIC NAME: ethyl 3-methylbut-3-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC(=O)CC(=C)C
Structure:
CAS RN: 1615-57-2
CAS Name: 1-methyl-5-nitro-2-imidazolecarboxamide
OPENEYE Name: 1-methyl-5-nitro-imidazole-2-carboxamide
IUPAC Name: 1-methyl-5-nitroimidazole-2-carboxamide
SYSTEMATIC NAME: 1-methyl-5-nitro-imidazole-2-carboxamide
MOLECULAR FORMULA: C5H6N4O3
MOLECULAR WEIGHT: 170.12614
SMILES: CN1C(=CN=C1C(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 1608-78-2
CAS Name: 3-oxoheptanedioic acid
OPENEYE Name: 3-oxoheptanedioic acid
IUPAC Name: 3-oxoheptanedioic acid
SYSTEMATIC NAME: 3-oxidanylideneheptanedioic acid
MOLECULAR FORMULA: C7H10O5
MOLECULAR WEIGHT: 174.1513
SMILES: C(CC(=O)CC(=O)O)CC(=O)O
Structure:
CAS RN: 133591-03-4
CAS Name: 3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-isobenzofuran-1-one
OPENEYE Name: 3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-isobenzofuran-1-one
IUPAC Name: 3-(2,2-dimethyl-6-oxo-3H-pyran-5-yl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(2,2-dimethyl-6-oxidanylidene-3H-pyran-5-yl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1(CC=C(C(=O)O1)C2C3=CC=CC=C3C(=O)O2)C
Structure:
CAS RN: 1579-16-4
CAS Name: 2-hydroxy-2,3-dihydroinden-1-one
OPENEYE Name: 2-hydroxyindan-1-one
IUPAC Name: 2-hydroxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 2-oxidanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1C(C(=O)C2=CC=CC=C21)O
Structure:
CAS RN: 1576-27-8
CAS Name: 3-(4-chlorophenyl)-1-dodecyl-1-methoxyurea
OPENEYE Name: 3-(4-chlorophenyl)-1-dodecyl-1-methoxy-urea
IUPAC Name: 3-(4-chlorophenyl)-1-dodecyl-1-methoxyurea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-dodecyl-1-methoxy-urea
MOLECULAR FORMULA: C20H33ClN2O2
MOLECULAR WEIGHT: 368.94122
SMILES: CCCCCCCCCCCCN(C(=O)NC1=CC=C(C=C1)Cl)OC
Structure:
CAS RN: 1561-34-8
CAS Name: 3,3-dichloro-2-methyl-2-propenal
OPENEYE Name: 3,3-dichloro-2-methyl-prop-2-enal
IUPAC Name: 3,3-dichloro-2-methylprop-2-enal
SYSTEMATIC NAME: 3,3-bis(chloranyl)-2-methyl-prop-2-enal
MOLECULAR FORMULA: C4H4Cl2O
MOLECULAR WEIGHT: 138.97996
SMILES: CC(=C(Cl)Cl)C=O
Structure:
CAS RN: 1548-61-4
CAS Name: 4-nitro-2-(trifluoromethyl)phenol
OPENEYE Name: 4-nitro-2-(trifluoromethyl)phenol
IUPAC Name: 4-nitro-2-(trifluoromethyl)phenol
SYSTEMATIC NAME: 4-nitro-2-(trifluoromethyl)phenol
MOLECULAR FORMULA: C7H4F3NO3
MOLECULAR WEIGHT: 207.10677
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)O
Structure:
CAS RN: 1523-23-5
CAS Name: 1,9-dimethylanthracene
OPENEYE Name: 1,9-dimethylanthracene
IUPAC Name: 1,9-dimethylanthracene
SYSTEMATIC NAME: 1,9-dimethylanthracene
MOLECULAR FORMULA: C16H14
MOLECULAR WEIGHT: 206.28236
SMILES: CC1=CC=CC2=CC3=CC=CC=C3C(=C12)C
Structure:
CAS RN: 1511-21-3
CAS Name: ethoxy-tris(3,3,3-trifluoropropyl)silane
OPENEYE Name: ethoxy-tris(3,3,3-trifluoropropyl)silane
IUPAC Name: ethoxy-tris(3,3,3-trifluoropropyl)silane
SYSTEMATIC NAME: ethoxy-tris[3,3,3-tris(fluoranyl)propyl]silane
MOLECULAR FORMULA: C11H17F9OSi
MOLECULAR WEIGHT: 364.323209
SMILES: CCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)F
Structure:
CAS RN: 1462-93-7
CAS Name: 6-ethyl-2,3,4,5-tetrahydropyridine
OPENEYE Name: 6-ethyl-2,3,4,5-tetrahydropyridine
IUPAC Name: 6-ethyl-2,3,4,5-tetrahydropyridine
SYSTEMATIC NAME: 6-ethyl-2,3,4,5-tetrahydropyridine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CCC1=NCCCC1
Structure:
CAS RN: 1458-31-7
CAS Name: 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)-2-pyrazinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
IUPAC Name: methyl 3-amino-6-chloro-5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-6-chloranyl-5-[2,2,2-tris(fluoranyl)ethylamino]pyrazine-2-carboxylate
MOLECULAR FORMULA: C8H8ClF3N4O2
MOLECULAR WEIGHT: 284.62293
SMILES: COC(=O)C1=C(N=C(C(=N1)Cl)NCC(F)(F)F)N
Structure:
CAS RN: 1433-20-1
CAS Name: 2,3-dichloro-5,6-dimethylbenzoyl chloride
OPENEYE Name: 2,3-dichloro-5,6-dimethyl-benzoyl chloride
IUPAC Name: 2,3-dichloro-5,6-dimethylbenzoyl chloride
SYSTEMATIC NAME: 2,3-bis(chloranyl)-5,6-dimethyl-benzoyl chloride
MOLECULAR FORMULA: C9H7Cl3O
MOLECULAR WEIGHT: 237.51028
SMILES: CC1=CC(=C(C(=C1C)C(=O)Cl)Cl)Cl
Structure:
CAS RN: 1429-22-7
CAS Name: 5,6-dihydronaphthalen-1-ol
OPENEYE Name: 5,6-dihydronaphthalen-1-ol
IUPAC Name: 5,6-dihydronaphthalen-1-ol
SYSTEMATIC NAME: 5,6-dihydronaphthalen-1-ol
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C1CC2=C(C=C1)C(=CC=C2)O
Structure:
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