dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethenyl]-oxidanyl-phosphoryl]-3-oxidanyl-butanoate

Systemtic Name: dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]ethenyl]-oxidanyl-phosphoryl]-3-oxidanyl-butanoate Openeye Name: dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]vinyl]-hydroxy-phosphoryl]-3-hydroxy-butanoate CAS Name: dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethenyl]-hydroxyphosphoryl]-3-hydroxybutanoate IUPAC Name: dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethylcyclohexen-1-yl]ethenyl]-hydroxyphosphoryl]-3-hydroxybutanoate Traditional Name: dilithium 4-[[(E)-2-[2-(4-fluorophenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]vinyl]-hydroxy-phosphoryl]-3-hydroxy-butyrate Formula: C44H58F2Li2O10P2 MolecularWeight: 860.751648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H30FO5P.2Li/c2*1-21(2)12-18(15-5-7-16(23)8-6-15)19(22(3,4)14-21)9-10-29(27,28)13-17(24)11-20(25)26;;/h2*5-10,17,24H,11-14H2,1-4H3,(H,25,26)(H,27,28);;/q;;2*+1/p-2/b2*10-9+;;