ethane-1,2-diol; 4-[3-fluoranyl-5-(naphthalen-2-ylmethoxy)phenyl]-4-oxidanyl-cyclohexan-1-one

Systemtic Name: ethane-1,2-diol; 4-[3-fluoranyl-5-(naphthalen-2-ylmethoxy)phenyl]-4-oxidanyl-cyclohexan-1-one Openeye Name: ethylene glycol; 4-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-4-hydroxy-cyclohexanone CAS Name: ethane-1,2-diol; 4-[3-fluoro-5-(2-naphthalenylmethoxy)phenyl]-4-hydroxy-1-cyclohexanone IUPAC Name: ethane-1,2-diol; 4-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-hydroxycyclohexan-1-one Traditional Name: ethylene glycol; 4-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-4-hydroxy-cyclohexanone Formula: C25H27FO5 MolecularWeight: 426.477283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(C2=CC(=CC(=C2)F)OCC3=CC4=CC=CC=C4C=C3)O.C(CO)O

Isomeric SMILES

C1CC(CCC1=O)(C2=CC(=CC(=C2)F)OCC3=CC4=CC=CC=C4C=C3)O.C(CO)O

InChI

InChI=1S/C23H21FO3.C2H6O2/c24-20-12-19(23(26)9-7-21(25)8-10-23)13-22(14-20)27-15-16-5-6-17-3-1-2-4-18(17)11-16;3-1-2-4/h1-6,11-14,26H,7-10,15H2;3-4H,1-2H2