tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

C148H192Cl5F15N16O40Sn — CID 172929113

IUPACtetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
SMILESC=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(/C=N/O)nc1NC=O.COC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1NC=O.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C20H12F9N3O4.C11H8F6.C10H10N2O3.C9H9N3O4.C9H8N2O4.C9H10N2O2.C8H18O3.4C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.6CO.Sn/c1-35-16(34)12-2-3-13(31-15(12)30-8-33)14-7-17(36-32-14,20(27,28)29)9-4-10(18(21,22)23)6-11(5-9)19(24,25)26;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-16-9(14)7-3-2-6(4-11-15)12-8(7)10-5-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;4*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;7*1-2;/h2-6,8H,7H2,1H3,(H,30,31,33);3-5H,2H2,1H3;3-6H,1H2,2H3,(H,11,12,13);2-5,15H,1H3,(H,10,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;4*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;;;/b;;;11-4+;;;;;;;;;;;;;;;;;;;;;
InChIKeySCOSALIKJMXBQQ-BQHNMARRSA-N
MW3416.18 g/mol
LogP35.60
Rot. Bonds39

About tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane

tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (PubChem CID 172929113) has the molecular formula C148H192Cl5F15N16O40Sn and a molecular weight of 3416.18 g/mol. Its IUPAC name is tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.

Molecular Properties

Compound Nametetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
PubChem CID172929113
Molecular FormulaC148H192Cl5F15N16O40Sn
Molecular Weight3416.18 g/mol
Exact Mass3413.07
IUPAC Nametetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
SMILESC=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(/C=N/O)nc1NC=O.COC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1NC=O.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C20H12F9N3O4.C11H8F6.C10H10N2O3.C9H9N3O4.C9H8N2O4.C9H10N2O2.C8H18O3.4C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.6CO.Sn/c1-35-16(34)12-2-3-13(31-15(12)30-8-33)14-7-17(36-32-14,20(27,28)29)9-4-10(18(21,22)23)6-11(5-9)19(24,25)26;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-16-9(14)7-3-2-6(4-11-15)12-8(7)10-5-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;4*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;7*1-2;/h2-6,8H,7H2,1H3,(H,30,31,33);3-5H,2H2,1H3;3-6H,1H2,2H3,(H,11,12,13);2-5,15H,1H3,(H,10,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;4*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;;;/b;;;11-4+;;;;;;;;;;;;;;;;;;;;;
InChIKeySCOSALIKJMXBQQ-BQHNMARRSA-N
XLogP35.60
TPSA785.14 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003416.18
LogP ≤ 535.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane with MolForge

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxamide;methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate;methyl 6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxylate;6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carbonyl chloride;6-(4-methylpiperazin-1-yl)-4-(2-methyl-3-pyridinyl)pyridine-3-carboxylic acid;(2-methyl-3-pyridinyl)boronic acid;thionyl dichloride;iodide
CID 158753519
2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;methyl 6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-prop-1-ynylpyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane
CID 160298019
magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
CID 160545958
2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane
CID 161271894
4-[[6-(4,4-Difluoropiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoic acid;methyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylbenzoate;methyl 4-[[6-(4,4-difluoropiperidin-1-yl)-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylbenzoate
CID 161302887
tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 172932378
tert-butyl N-(2,6-difluorophenyl)carbamate;2-chloropyridine-3-carboxylic acid;(4-fluorophenyl)boronic acid;methyl 6-chloro-2-(4-fluorophenyl)pyridine-3-carboxylate;methyl 2-chloropyridine-3-carboxylate;methyl 6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)pyridine-3-carboxylate;methyl 2-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-(4-fluorophenyl)pyridine-3-carboxylate
CID 158840558
Bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane
CID 159521877
tert-butyl N-(2,6-difluorophenyl)carbamate;2-chloropyridine-3-carboxylic acid;(2,4-difluorophenyl)boronic acid;ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 2-chloropyridine-3-carboxylate;ethyl 6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate;methyl 2-(2,4-difluorophenyl)-1-oxidopyridin-1-ium-3-carboxylate
CID 162112177

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?
The IUPAC name of tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane (CID 172929113) is tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane.
What is the SMILES notation for tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?
The canonical SMILES for tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(/C=N/O)nc1NC=O.COC(=O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1NC=O.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?
The InChIKey is SCOSALIKJMXBQQ-BQHNMARRSA-N. The full InChI is InChI=1S/C20H12F9N3O4.C11H8F6.C10H10N2O3.C9H9N3O4.C9H8N2O4.C9H10N2O2.C8H18O3.4C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.6CO.Sn/c1-35-16(34)12-2-3-13(31-15(12)30-8-33)14-7-17(36-32-14,20(27,28)29)9-4-10(18(21,22)23)6-11(5-9)19(24,25)26;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-16-9(14)7-3-2-6(4-11-15)12-8(7)10-5-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;4*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;7*1-2;/h2-6,8H,7H2,1H3,(H,30,31,33);3-5H,2H2,1H3;3-6H,1H2,2H3,(H,11,12,13);2-5,15H,1H3,(H,10,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;4*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;;;/b;;;11-4+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane?
tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane has a molecular weight of 3416.18 g/mol, XLogP of 35.60, 39 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane is sourced from PubChem (CID 172929113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).