About lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide
lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide (PubChem CID 165081276) has the molecular formula C70H85F12LiN4O9S2
and a molecular weight of 1425.52 g/mol. Its IUPAC name is lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide.
Analyze lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide with MolForge
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Frequently Asked Questions
What is the IUPAC name of lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide?
The IUPAC name of lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide (CID 165081276) is lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide.
What is the SMILES notation for lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide?
The canonical SMILES for lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide is Cc1cc(C)c(-c2cc(C)c(F)c([C@H](CC(=O)O)CC(=O)C(CC(C)C)n3cc(CCN(C)C)c(C(F)(F)F)cc3=O)c2F)c(F)c1.Cc1cc(C)c(-c2cc(C)c(F)c([C@H](CC(=O)O)CC(=O)C(CC(C)C)n3cc(CCN(C)C)c(C(F)(F)F)cc3=O)c2F)c(F)c1.S.S.[Li+].[OH-].
What is the InChIKey of lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide?
The InChIKey is VDZAWNGENVEEBQ-VPUWUQQOSA-M. The full InChI is InChI=1S/2C35H40F6N2O4.Li.H2O.2H2S/c2*1-18(2)10-27(43-17-22(8-9-42(6)7)25(16-29(43)45)35(39,40)41)28(44)14-23(15-30(46)47)32-33(37)21(5)13-24(34(32)38)31-20(4)11-19(3)12-26(31)36;;;;/h2*11-13,16-18,23,27H,8-10,14-15H2,1-7H3,(H,46,47);;3*1H2/q;;+1;;;/p-1/t2*23-,27?;;;;/m00..../s1.
What are the key properties of lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide?
lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide has a molecular weight of 1425.52 g/mol, XLogP of 12.62, 26 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis((3S)-3-[2,6-difluoro-3-(2-fluoro-4,6-dimethylphenyl)-5-methylphenyl]-6-[5-[2-(dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-8-methyl-5-oxononanoic acid);sulfane;hydroxide is sourced from PubChem (CID 165081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).