(4-hexylphenyl) 5-(1-fluoranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-2-oxidanyl-benzoate

Systemtic Name: (4-hexylphenyl) 5-(1-fluoranyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-2-oxidanyl-benzoate Openeye Name: (4-hexylphenyl) 5-(1-fluoro-4-hydroxy-cyclohexa-2,5-dien-1-yl)-2-hydroxy-benzoate CAS Name: 5-(1-fluoro-4-hydroxy-1-cyclohexa-2,5-dienyl)-2-hydroxybenzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-(1-fluoro-4-hydroxycyclohexa-2,5-dien-1-yl)-2-hydroxybenzoate Traditional Name: 5-(1-fluoro-4-hydroxy-cyclohexa-2,5-dien-1-yl)-2-hydroxy-benzoic acid (4-hexylphenyl) ester Formula: C25H27FO4 MolecularWeight: 410.477883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)C3(C=CC(C=C3)O)F)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)C3(C=CC(C=C3)O)F)O

InChI

InChI=1S/C25H27FO4/c1-2-3-4-5-6-18-7-10-21(11-8-18)30-24(29)22-17-19(9-12-23(22)28)25(26)15-13-20(27)14-16-25/h7-17,20,27-28H,2-6H2,1H3