dilithium 4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoate

Systemtic Name: dilithium 4-[2-[2-(4-fluoranyl-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: dilithium 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoate CAS Name: dilithium 4-[2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoate IUPAC Name: dilithium 4-[2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoate Traditional Name: dilithium 4-[2-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyrate Formula: C46H58F2Li2O10P2 MolecularWeight: 884.773048

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC1=C(C=CC(=C1)C2=C(C(CC(C2)(C)C)(C)C)C#CP(=O)(CC(CC(=O)[O-])O)O)F.CC1=C(C=CC(=C1)C2=C(C(CC(C2)(C)C)(C)C)C#CP(=O)(CC(CC(=O)[O-])O)O)F

Isomeric SMILES

[Li+].[Li+].CC1=C(C=CC(=C1)C2=C(C(CC(C2)(C)C)(C)C)C#CP(=O)(CC(CC(=O)[O-])O)O)F.CC1=C(C=CC(=C1)C2=C(C(CC(C2)(C)C)(C)C)C#CP(=O)(CC(CC(=O)[O-])O)O)F

InChI

InChI=1S/2C23H30FO5P.2Li/c2*1-15-10-16(6-7-20(15)24)18-12-22(2,3)14-23(4,5)19(18)8-9-30(28,29)13-17(25)11-21(26)27;;/h2*6-7,10,17,25H,11-14H2,1-5H3,(H,26,27)(H,28,29);;/q;;2*+1/p-2