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

Systemtic Name: ethane-1,2-diol; 4-[3-fluoranyl-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxy-cyclohexan-1-one Openeye Name: ethylene glycol; 4-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-4-methoxy-cyclohexanone CAS Name: ethane-1,2-diol; 4-[3-fluoro-5-(2-naphthalenylmethoxy)phenyl]-4-methoxy-1-cyclohexanone IUPAC Name: ethane-1,2-diol; 4-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-4-methoxycyclohexan-1-one Traditional Name: ethylene glycol; 4-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-4-methoxy-cyclohexanone Formula: C26H29FO5 MolecularWeight: 440.503863

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(=O)CC1)C2=CC(=CC(=C2)F)OCC3=CC4=CC=CC=C4C=C3.C(CO)O

Isomeric SMILES

COC1(CCC(=O)CC1)C2=CC(=CC(=C2)F)OCC3=CC4=CC=CC=C4C=C3.C(CO)O

InChI

InChI=1S/C24H23FO3.C2H6O2/c1-27-24(10-8-22(26)9-11-24)20-13-21(25)15-23(14-20)28-16-17-6-7-18-4-2-3-5-19(18)12-17;3-1-2-4/h2-7,12-15H,8-11,16H2,1H3;3-4H,1-2H2