CAS RN: 5345-24-4
CAS Name: 2,2-bis[2-(2-nitrophenyl)ethyl]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-bis[2-(2-nitrophenyl)ethyl]propanedioate
IUPAC Name: diethyl 2,2-bis[2-(2-nitrophenyl)ethyl]propanedioate
SYSTEMATIC NAME: diethyl 2,2-bis[2-(2-nitrophenyl)ethyl]propanedioate
MOLECULAR FORMULA: C23H26N2O8
MOLECULAR WEIGHT: 458.46114
SMILES: CCOC(=O)C(CCC1=CC=CC=C1[N+](=O)[O-])(CCC2=CC=CC=C2[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 5345-04-0
CAS Name: 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
IUPAC Name: diethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
SYSTEMATIC NAME: diethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
MOLECULAR FORMULA: C23H26N2O8
MOLECULAR WEIGHT: 458.46114
SMILES: CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 14883-34-2
CAS Name: iron; oxalic acid
OPENEYE Name: iron; oxalic acid
IUPAC Name: iron; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; iron
MOLECULAR FORMULA: C6H6FeO12
MOLECULAR WEIGHT: 325.94964
SMILES: C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.[Fe]
Structure:
CAS RN: 5323-64-8
CAS Name: 2-hydroxypropyl(iodo)mercury
OPENEYE Name: 2-hydroxypropyl(iodo)mercury
IUPAC Name: 2-hydroxypropyl(iodo)mercury
SYSTEMATIC NAME: iodanyl(2-oxidanylpropyl)mercury
MOLECULAR FORMULA: C3H7HgIO
MOLECULAR WEIGHT: 386.58155
SMILES: CC(C[Hg]I)O
Structure:
CAS RN: 4754-21-6
CAS Name: 5-hydroxy-1-pentanesulfonic acid
OPENEYE Name: 5-hydroxypentane-1-sulfonic acid
IUPAC Name: 5-hydroxypentane-1-sulfonic acid
SYSTEMATIC NAME: 5-oxidanylpentane-1-sulfonic acid
MOLECULAR FORMULA: C5H12O4S
MOLECULAR WEIGHT: 168.21138
SMILES: C(CCO)CCS(=O)(=O)O
Structure:
CAS RN: 5395-32-4
CAS Name: 4-ethoxy-1-pentanesulfonic acid
OPENEYE Name: 4-ethoxypentane-1-sulfonic acid
IUPAC Name: 4-ethoxypentane-1-sulfonic acid
SYSTEMATIC NAME: 4-ethoxypentane-1-sulfonic acid
MOLECULAR FORMULA: C7H16O4S
MOLECULAR WEIGHT: 196.26454
SMILES: CCOC(C)CCCS(=O)(=O)O
Structure:
CAS RN: 5324-86-7
CAS Name: 4-ethoxy-1-butanesulfonic acid
OPENEYE Name: 4-ethoxybutane-1-sulfonic acid
IUPAC Name: 4-ethoxybutane-1-sulfonic acid
SYSTEMATIC NAME: 4-ethoxybutane-1-sulfonic acid
MOLECULAR FORMULA: C6H14O4S
MOLECULAR WEIGHT: 182.23796
SMILES: CCOCCCCS(=O)(=O)O
Structure:
CAS RN: 5324-83-4
CAS Name: 3-(1-naphthalenyl)-1-propanesulfonic acid
OPENEYE Name: 3-(1-naphthyl)propane-1-sulfonic acid
IUPAC Name: 3-naphthalen-1-ylpropane-1-sulfonic acid
SYSTEMATIC NAME: 3-naphthalen-1-ylpropane-1-sulfonic acid
MOLECULAR FORMULA: C13H14O3S
MOLECULAR WEIGHT: 250.31346
SMILES: C1=CC=C2C(=C1)C=CC=C2CCCS(=O)(=O)O
Structure:
CAS RN: 5324-63-0
CAS Name: 6-ethoxy-5-ethoxycarbonyl-6-oxo-1-hexanesulfonic acid
OPENEYE Name: 6-ethoxy-5-ethoxycarbonyl-6-oxo-hexane-1-sulfonic acid
IUPAC Name: 6-ethoxy-5-ethoxycarbonyl-6-oxohexane-1-sulfonic acid
SYSTEMATIC NAME: 6-ethoxy-5-ethoxycarbonyl-6-oxidanylidene-hexane-1-sulfonic acid
MOLECULAR FORMULA: C11H20O7S
MOLECULAR WEIGHT: 296.3373
SMILES: CCOC(=O)C(CCCCS(=O)(=O)O)C(=O)OCC
Structure:
CAS RN: 5324-55-0
CAS Name: ethane-1,1,2-trisulfonic acid
OPENEYE Name: ethane-1,1,2-trisulfonic acid
IUPAC Name: ethane-1,1,2-trisulfonic acid
SYSTEMATIC NAME: ethane-1,1,2-trisulfonic acid
MOLECULAR FORMULA: C2H6O9S3
MOLECULAR WEIGHT: 270.25864
SMILES: C(C(S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 5395-26-6
CAS Name: 4-bromo-1-butanesulfonic acid
OPENEYE Name: 4-bromobutane-1-sulfonic acid
IUPAC Name: 4-bromobutane-1-sulfonic acid
SYSTEMATIC NAME: 4-bromanylbutane-1-sulfonic acid
MOLECULAR FORMULA: C4H9BrO3S
MOLECULAR WEIGHT: 217.08146
SMILES: C(CCBr)CS(=O)(=O)O
Structure:
CAS RN: 16883-69-5
CAS Name: 1-phenyl-2-(1-pyridin-1-iumyl)ethanone
OPENEYE Name: 1-phenyl-2-pyridin-1-ium-1-yl-ethanone
IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone
SYSTEMATIC NAME: 1-phenyl-2-pyridin-1-ium-1-yl-ethanone
MOLECULAR FORMULA: C13H12NO+
MOLECULAR WEIGHT: 198.24048
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2
Structure:
CAS RN: 5330-50-7
CAS Name: 1-[[4-(dimethylamino)phenyl]methylamino]-2-pentanol
OPENEYE Name: 1-[[4-(dimethylamino)phenyl]methylamino]pentan-2-ol
IUPAC Name: 1-[[4-(dimethylamino)phenyl]methylamino]pentan-2-ol
SYSTEMATIC NAME: 1-[[4-(dimethylamino)phenyl]methylamino]pentan-2-ol
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CCCC(CNCC1=CC=C(C=C1)N(C)C)O
Structure:
CAS RN: 5331-45-3
CAS Name: 3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
OPENEYE Name: 3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxo-propanoic acid
IUPAC Name: 3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
SYSTEMATIC NAME: 2-(1H-indol-3-ylmethyl)-3-(oxidanylamino)-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)C(=O)O
Structure:
CAS RN: 5348-00-5
CAS Name: 1-nitro-2-(pyridin-4-ylmethylideneamino)guanidine
OPENEYE Name: 1-nitro-2-(4-pyridylmethyleneamino)guanidine
IUPAC Name: 1-nitro-2-(pyridin-4-ylmethylideneamino)guanidine
SYSTEMATIC NAME: 1-nitro-2-(pyridin-4-ylmethylideneamino)guanidine
MOLECULAR FORMULA: C7H8N6O2
MOLECULAR WEIGHT: 208.17742
SMILES: C1=CN=CC=C1C=NN=C(N)N[N+](=O)[O-]
Structure:
CAS RN: 13408-73-6
CAS Name: 2-azanidylethylazanide; cobalt
OPENEYE Name: 2-azanidylethylazanide; cobalt
IUPAC Name: 2-azanidylethylazanide; cobalt
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt
MOLECULAR FORMULA: C6H18CoN6-6
MOLECULAR WEIGHT: 233.18052
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].C(C[NH-])[NH-].[Co]
Structure:
CAS RN: 15635-62-8
CAS Name: 2-azanidylethylazanide; cobalt
OPENEYE Name: 2-azanidylethylazanide; cobalt
IUPAC Name: 2-azanidylethylazanide; cobalt
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt
MOLECULAR FORMULA: C6H18CoN6-6
MOLECULAR WEIGHT: 233.18052
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].C(C[NH-])[NH-].[Co]
Structure:
CAS RN: 28360-41-0
CAS Name: 2-azanidylethylazanide; cobalt
OPENEYE Name: 2-azanidylethylazanide; cobalt
IUPAC Name: 2-azanidylethylazanide; cobalt
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt
MOLECULAR FORMULA: C6H18CoN6-6
MOLECULAR WEIGHT: 233.18052
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].C(C[NH-])[NH-].[Co]
Structure:
CAS RN: 39174-07-7
CAS Name: 2-azanidylethylazanide; cobalt
OPENEYE Name: 2-azanidylethylazanide; cobalt
IUPAC Name: 2-azanidylethylazanide; cobalt
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt
MOLECULAR FORMULA: C6H18CoN6-6
MOLECULAR WEIGHT: 233.18052
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].C(C[NH-])[NH-].[Co]
Structure:
CAS RN: 49742-72-5
CAS Name: 2-methoxy-10H-acridin-9-one
OPENEYE Name: 2-methoxy-10H-acridin-9-one
IUPAC Name: 2-methoxy-10H-acridin-9-one
SYSTEMATIC NAME: 2-methoxy-10H-acridin-9-one
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: COC1=CC2=C(C=C1)NC3=CC=CC=C3C2=O
Structure:
CAS RN: 5344-48-9
CAS Name: 4-nitro-2-sulfobenzoic acid
OPENEYE Name: 4-nitro-2-sulfo-benzoic acid
IUPAC Name: 4-nitro-2-sulfobenzoic acid
SYSTEMATIC NAME: 4-nitro-2-sulfo-benzoic acid
MOLECULAR FORMULA: C7H5NO7S
MOLECULAR WEIGHT: 247.1821
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)O
Structure:
CAS RN: 4343-77-5
CAS Name: (1,3-benzothiazol-2-ylthio)-phenylmercury
OPENEYE Name: 1,3-benzothiazol-2-ylsulfanyl(phenyl)mercury
IUPAC Name: 1,3-benzothiazol-2-ylsulfanyl(phenyl)mercury
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylsulfanyl(phenyl)mercury
MOLECULAR FORMULA: C13H9HgNS2
MOLECULAR WEIGHT: 443.93726
SMILES: C1=CC=C(C=C1)[Hg]SC2=NC3=CC=CC=C3S2
Structure:
CAS RN: 5343-41-9
CAS Name: 3-methyl-1-butanesulfonic acid
OPENEYE Name: 3-methylbutane-1-sulfonic acid
IUPAC Name: 3-methylbutane-1-sulfonic acid
SYSTEMATIC NAME: 3-methylbutane-1-sulfonic acid
MOLECULAR FORMULA: C5H12O3S
MOLECULAR WEIGHT: 152.21198
SMILES: CC(C)CCS(=O)(=O)O
Structure:
CAS RN: 5326-00-1
CAS Name: bromo-[1-methoxy-3-oxo-1-phenyl-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]mercury
OPENEYE Name: bromo-[1-[methoxy(phenyl)methyl]-2-oxo-2-(1,7,7-trimethylnorbornan-2-yl)oxy-ethyl]mercury
IUPAC Name: bromo-[1-methoxy-3-oxo-1-phenyl-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]mercury
SYSTEMATIC NAME: bromanyl-[1-methoxy-3-oxidanylidene-1-phenyl-3-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]mercury
MOLECULAR FORMULA: C20H27BrHgO3
MOLECULAR WEIGHT: 595.92058
SMILES: CC1(C2CCC1(C(C2)OC(=O)C(C(C3=CC=CC=C3)OC)[Hg]Br)C)C
Structure:
CAS RN: 167465-36-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H32ClF2N3O2
MOLECULAR WEIGHT: 564.065186
SMILES: C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47.Cl
Structure:
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