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

Systemtic Name: dilithium 4-[2-[2-(3-fluoranyl-4-methoxy-phenyl)-6,6-dimethyl-cyclohexen-1-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: dilithium 4-[2-[2-(3-fluoro-4-methoxy-phenyl)-6,6-dimethyl-cyclohexen-1-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoate CAS Name: dilithium 4-[2-[2-(3-fluoro-4-methoxyphenyl)-6,6-dimethyl-1-cyclohexenyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoate IUPAC Name: dilithium 4-[2-[2-(3-fluoro-4-methoxyphenyl)-6,6-dimethylcyclohexen-1-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoate Traditional Name: dilithium 4-[2-[2-(3-fluoro-4-methoxy-phenyl)-6,6-dimethyl-cyclohexen-1-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyrate Formula: C42H50F2Li2O12P2 MolecularWeight: 860.665528

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CC1(CCCC(=C1C#CP(=O)(CC(CC(=O)[O-])O)O)C2=CC(=C(C=C2)OC)F)C.CC1(CCCC(=C1C#CP(=O)(CC(CC(=O)[O-])O)O)C2=CC(=C(C=C2)OC)F)C

Isomeric SMILES

[Li+].[Li+].CC1(CCCC(=C1C#CP(=O)(CC(CC(=O)[O-])O)O)C2=CC(=C(C=C2)OC)F)C.CC1(CCCC(=C1C#CP(=O)(CC(CC(=O)[O-])O)O)C2=CC(=C(C=C2)OC)F)C

InChI

InChI=1S/2C21H26FO6P.2Li/c2*1-21(2)9-4-5-16(14-6-7-19(28-3)18(22)11-14)17(21)8-10-29(26,27)13-15(23)12-20(24)25;;/h2*6-7,11,15,23H,4-5,9,12-13H2,1-3H3,(H,24,25)(H,26,27);;/q;;2*+1/p-2