sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) [4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)ethyl]phenyl] phosphate Formula: C28H25FNaO5P MolecularWeight: 514.457034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(CC3=CC=C(C=C3)F)C4=CC=C(C=C4)O)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(CC3=CC=C(C=C3)F)C4=CC=C(C=C4)O)C.[Na+]

InChI

InChI=1S/C28H26FO5P.Na/c1-19-15-20(2)17-27(16-19)34-35(31,32)33-26-13-7-23(8-14-26)28(22-5-11-25(30)12-6-22)18-21-3-9-24(29)10-4-21;/h3-17,28,30H,18H2,1-2H3,(H,31,32);/q;+1/p-1