sodium 6-[2-(4-fluorophenyl)-4-phenyl-6-propan-2-yl-phenoxy]-3,5-bis(oxidanyl)hexanoate

Systemtic Name: sodium 6-[2-(4-fluorophenyl)-4-phenyl-6-propan-2-yl-phenoxy]-3,5-bis(oxidanyl)hexanoate Openeye Name: sodium 6-[2-(4-fluorophenyl)-6-isopropyl-4-phenyl-phenoxy]-3,5-dihydroxy-hexanoate CAS Name: sodium 6-[2-(4-fluorophenyl)-4-phenyl-6-propan-2-ylphenoxy]-3,5-dihydroxyhexanoate IUPAC Name: sodium 6-[2-(4-fluorophenyl)-4-phenyl-6-propan-2-ylphenoxy]-3,5-dihydroxyhexanoate Traditional Name: sodium 6-[2-(4-fluorophenyl)-6-isopropyl-4-phenyl-phenoxy]-3,5-dihydroxy-hexanoate Formula: C27H28FNaO5 MolecularWeight: 474.496393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C27H29FO5.Na/c1-17(2)24-12-20(18-6-4-3-5-7-18)13-25(19-8-10-21(28)11-9-19)27(24)33-16-23(30)14-22(29)15-26(31)32;/h3-13,17,22-23,29-30H,14-16H2,1-2H3,(H,31,32);/q;+1/p-1