CAS RN: 140681-69-2
CAS Name: 4-(chloromethyl)-1-aza-4-azoniabicyclo[2.2.2]octane tetrafluoroborate
OPENEYE Name: 4-(chloromethyl)-1-aza-4-azoniabicyclo[2.2.2]octane tetrafluoroborate
IUPAC Name: 4-(chloromethyl)-1-aza-4-azoniabicyclo[2.2.2]octane tetrafluoroborate
SYSTEMATIC NAME: 4-(chloromethyl)-1-aza-4-azoniabicyclo[2.2.2]octane tetrafluoroborate
MOLECULAR FORMULA: C7H14BClF4N2
MOLECULAR WEIGHT: 248.457073
SMILES: [B-](F)(F)(F)F.C1C[N+]2(CCN1CC2)CCl
Structure:
CAS RN: 859855-53-1
CAS Name: 3-amino-4-fluorobenzonitrile
OPENEYE Name: 3-amino-4-fluoro-benzonitrile
IUPAC Name: 3-amino-4-fluorobenzonitrile
SYSTEMATIC NAME: 3-azanyl-4-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H5FN2
MOLECULAR WEIGHT: 136.126403
SMILES: C1=CC(=C(C=C1C#N)N)F
Structure:
CAS RN: 12047-79-9
CAS Name: azanidylidenebarium; barium(2+)
OPENEYE Name: azanidylidenebarium; barium(2+)
IUPAC Name: azanidylidenebarium; barium(2+)
SYSTEMATIC NAME: azanidylidenebarium; barium(2+)
MOLECULAR FORMULA: Ba3N2
MOLECULAR WEIGHT: 439.9944
SMILES: [N-]=[Ba].[N-]=[Ba].[Ba+2]
Structure:
CAS RN: 22473-78-5
CAS Name: tetraammonium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: tetraammonium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC Name: tetraazanium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: tetraazanium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H28N6O8
MOLECULAR WEIGHT: 360.36472
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
Structure:
CAS RN: 26656-81-5
CAS Name: cobalt(2+); 2-hydroxyacetate
OPENEYE Name: cobaltous 2-hydroxyacetate
IUPAC Name: cobalt(2+); 2-hydroxyacetate
SYSTEMATIC NAME: cobalt(2+); 2-oxidanylethanoate
MOLECULAR FORMULA: C4H6CoO6
MOLECULAR WEIGHT: 209.02004
SMILES: C(C(=O)[O-])O.C(C(=O)[O-])O.[Co+2]
Structure:
CAS RN: 357-77-7
CAS Name: 1,1-bis(4-fluorophenyl)-2-propyn-1-ol
OPENEYE Name: 1,1-bis(4-fluorophenyl)prop-2-yn-1-ol
IUPAC Name: 1,1-bis(4-fluorophenyl)prop-2-yn-1-ol
SYSTEMATIC NAME: 1,1-bis(4-fluorophenyl)prop-2-yn-1-ol
MOLECULAR FORMULA: C15H10F2O
MOLECULAR WEIGHT: 244.236106
SMILES: C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)O
Structure:
CAS RN: 171809-14-6
CAS Name: 7-fluoro-1-methyl-3-indazolamine
OPENEYE Name: 7-fluoro-1-methyl-indazol-3-amine
IUPAC Name: 7-fluoro-1-methylindazol-3-amine
SYSTEMATIC NAME: 7-fluoranyl-1-methyl-indazol-3-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: CN1C2=C(C=CC=C2F)C(=N1)N
Structure:
CAS RN: 171809-13-5
CAS Name: 6-fluoro-1-methyl-3-indazolamine
OPENEYE Name: 6-fluoro-1-methyl-indazol-3-amine
IUPAC Name: 6-fluoro-1-methylindazol-3-amine
SYSTEMATIC NAME: 6-fluoranyl-1-methyl-indazol-3-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: CN1C2=C(C=CC(=C2)F)C(=N1)N
Structure:
CAS RN: 171809-12-4
CAS Name: 5-fluoro-1-methyl-3-indazolamine
OPENEYE Name: 5-fluoro-1-methyl-indazol-3-amine
IUPAC Name: 5-fluoro-1-methylindazol-3-amine
SYSTEMATIC NAME: 5-fluoranyl-1-methyl-indazol-3-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: CN1C2=C(C=C(C=C2)F)C(=N1)N
Structure:
CAS RN: 162502-44-5
CAS Name: 4-fluoro-1-methyl-3-indazolamine
OPENEYE Name: 4-fluoro-1-methyl-indazol-3-amine
IUPAC Name: 4-fluoro-1-methylindazol-3-amine
SYSTEMATIC NAME: 4-fluoranyl-1-methyl-indazol-3-amine
MOLECULAR FORMULA: C8H8FN3
MOLECULAR WEIGHT: 165.167623
SMILES: CN1C2=C(C(=CC=C2)F)C(=N1)N
Structure:
CAS RN: 33064-36-7
CAS Name: 1H-pyrazole-5-carboxamide
OPENEYE Name: 1H-pyrazole-5-carboxamide
IUPAC Name: 1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C4H5N3O
MOLECULAR WEIGHT: 111.102
SMILES: C1=C(NN=C1)C(=O)N
Structure:
CAS RN: 13826-42-1
CAS Name: trimagnesium lanthanum(3+) dodecanitrate
OPENEYE Name: trimagnesium lanthanum(3+) dodecanitrate
IUPAC Name: trimagnesium lanthanum(3+) dodecanitrate
SYSTEMATIC NAME: trimagnesium lanthanum(3+) dodecanitrate
MOLECULAR FORMULA: La2Mg3N12O36
MOLECULAR WEIGHT: 1094.7848
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[La+3]
Structure:
CAS RN: 21120-75-2
CAS Name: 4-(4-bromophenoxy)benzoic acid methyl ester
OPENEYE Name: methyl 4-(4-bromophenoxy)benzoate
IUPAC Name: methyl 4-(4-bromophenoxy)benzoate
SYSTEMATIC NAME: methyl 4-(4-bromanylphenoxy)benzoate
MOLECULAR FORMULA: C14H11BrO3
MOLECULAR WEIGHT: 307.13934
SMILES: COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
Structure:
CAS RN: 174417-54-0
CAS Name: 2-bromo-5-methoxy-3-methylbenzoic acid
OPENEYE Name: 2-bromo-5-methoxy-3-methyl-benzoic acid
IUPAC Name: 2-bromo-5-methoxy-3-methylbenzoic acid
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-3-methyl-benzoic acid
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: CC1=C(C(=CC(=C1)OC)C(=O)O)Br
Structure:
CAS RN: 26361-67-1
CAS Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R)-1-(5,5-dimethyl-2-oxolanyl)-1-hydroxyethyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R)-1-(5,5-dimethyltetrahydrofuran-2-yl)-1-hydroxy-ethyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-hydroxyethyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R)-1-(5,5-dimethyloxolan-2-yl)-1-oxidanyl-ethyl]-10,13-dimethyl-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H42O6
MOLECULAR WEIGHT: 462.61878
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)(C5CCC(O5)(C)C)O)O
Structure:
CAS RN: 94278-26-9
CAS Name: 3-(2-furanylmethylthio)propanoic acid methyl ester
OPENEYE Name: methyl 3-(2-furylmethylsulfanyl)propanoate
IUPAC Name: methyl 3-(furan-2-ylmethylsulfanyl)propanoate
SYSTEMATIC NAME: methyl 3-(furan-2-ylmethylsulfanyl)propanoate
MOLECULAR FORMULA: C9H12O3S
MOLECULAR WEIGHT: 200.25478
SMILES: COC(=O)CCSCC1=CC=CO1
Structure:
CAS RN: 116784-97-5
CAS Name: N-(6-bromohexyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(6-bromohexyl)carbamate
IUPAC Name: benzyl N-(6-bromohexyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(6-bromanylhexyl)carbamate
MOLECULAR FORMULA: C14H20BrNO2
MOLECULAR WEIGHT: 314.2181
SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCCBr
Structure:
CAS RN: 7556-94-7
CAS Name: 6-methylquinazoline
OPENEYE Name: 6-methylquinazoline
IUPAC Name: 6-methylquinazoline
SYSTEMATIC NAME: 6-methylquinazoline
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: CC1=CC2=CN=CN=C2C=C1
Structure:
CAS RN: 7364-29-6
CAS Name: 6-chloro-1,2-dihydroindazol-3-one
OPENEYE Name: 6-chloro-1,2-dihydroindazol-3-one
IUPAC Name: 6-chloro-1,2-dihydroindazol-3-one
SYSTEMATIC NAME: 6-chloranyl-1,2-dihydroindazol-3-one
MOLECULAR FORMULA: C7H5ClN2O
MOLECULAR WEIGHT: 168.5804
SMILES: C1=CC2=C(C=C1Cl)NNC2=O
Structure:
CAS RN: 151426-26-5
CAS Name: N-(5-amino-6-methoxy-3-pyridinyl)acetamide
OPENEYE Name: N-(5-amino-6-methoxy-3-pyridyl)acetamide
IUPAC Name: N-(5-amino-6-methoxypyridin-3-yl)acetamide
SYSTEMATIC NAME: N-(5-azanyl-6-methoxy-pyridin-3-yl)ethanamide
MOLECULAR FORMULA: C8H11N3O2
MOLECULAR WEIGHT: 181.19184
SMILES: CC(=O)NC1=CC(=C(N=C1)OC)N
Structure:
CAS RN: 13476-79-4
CAS Name: copper hexanoate
OPENEYE Name: copper hexanoate
IUPAC Name: copper hexanoate
SYSTEMATIC NAME: copper hexanoate
MOLECULAR FORMULA: C12H22CuO4
MOLECULAR WEIGHT: 293.84668
SMILES: CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Cu+2]
Structure:
CAS RN: 166255-23-8
CAS Name: [5-benzoyl-2,4-dihydroxy-3-(3-triethoxysilylpropyl)phenyl]-phenylmethanone
OPENEYE Name: [5-benzoyl-2,4-dihydroxy-3-(3-triethoxysilylpropyl)phenyl]-phenyl-methanone
IUPAC Name: [5-benzoyl-2,4-dihydroxy-3-(3-triethoxysilylpropyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [2,4-bis(oxidanyl)-5-(phenylcarbonyl)-3-(3-triethoxysilylpropyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C29H34O7Si
MOLECULAR WEIGHT: 522.66156
SMILES: CCO[Si](CCCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)(OCC)OCC
Structure:
CAS RN: 52683-81-5
CAS Name: (2S)-4,4-difluoro-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-4,4-difluoropyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-4,4-difluoropyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C5H7F2NO2
MOLECULAR WEIGHT: 151.111386
SMILES: C1[C@H](NCC1(F)F)C(=O)O
Structure:
CAS RN: 51274-58-9
CAS Name: (4-methoxyphenyl)-(4-morpholinyl)diazene
OPENEYE Name: (4-methoxyphenyl)-morpholino-diazene
IUPAC Name: (4-methoxyphenyl)-morpholin-4-yldiazene
SYSTEMATIC NAME: (4-methoxyphenyl)-morpholin-4-yl-diazene
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: COC1=CC=C(C=C1)N=NN2CCOCC2
Structure:
CAS RN: 166766-89-8
CAS Name: tributyl-(3-methyl-2-thiophenyl)stannane
OPENEYE Name: tributyl-(3-methyl-2-thienyl)stannane
IUPAC Name: tributyl-(3-methylthiophen-2-yl)stannane
SYSTEMATIC NAME: tributyl-(3-methylthiophen-2-yl)stannane
MOLECULAR FORMULA: C17H32SSn
MOLECULAR WEIGHT: 387.21098
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=CS1)C
Structure:
CAS RN: 161395-96-6
CAS Name: 4,4,5,5-tetramethyl-2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
OPENEYE Name: 4,4,5,5-tetramethyl-2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
SYSTEMATIC NAME: 4,4,5,5-tetramethyl-2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
MOLECULAR FORMULA: C11H21BO2
MOLECULAR WEIGHT: 196.09424
SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CCC
Structure:
CAS RN: 6269-26-7
CAS Name: 2-(2-bromo-1-pyridin-1-iumyl)-1-(4-chlorophenyl)ethanone bromide
OPENEYE Name: 2-(2-bromopyridin-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide
IUPAC Name: 2-(2-bromopyridin-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide
SYSTEMATIC NAME: 2-(2-bromanylpyridin-1-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide
MOLECULAR FORMULA: C13H10Br2ClNO
MOLECULAR WEIGHT: 391.4856
SMILES: C1=CC=[N+](C(=C1)Br)CC(=O)C2=CC=C(C=C2)Cl.[Br-]
Structure:
CAS RN: 13576-74-4
CAS Name: 2-(4-bromophenyl)oxazolo[3,2-a]pyridin-4-ium perchlorate
OPENEYE Name: 2-(4-bromophenyl)oxazolo[3,2-a]pyridin-4-ium perchlorate
IUPAC Name: 2-(4-bromophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium perchlorate
SYSTEMATIC NAME: 2-(4-bromophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium perchlorate
MOLECULAR FORMULA: C13H9BrClNO5
MOLECULAR WEIGHT: 374.57126
SMILES: C1=CC=[N+]2C=C(OC2=C1)C3=CC=C(C=C3)Br.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 147330-32-3
CAS Name: 5-(2-phenylphenyl)-2H-tetrazole
OPENEYE Name: 5-(2-phenylphenyl)-2H-tetrazole
IUPAC Name: 5-(2-phenylphenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(2-phenylphenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3
Structure:
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