1-[2-(4-ethylhexan-2-yloxycarbonyl)phenyl]-2-fluoranyl-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-[2-(4-ethylhexan-2-yloxycarbonyl)phenyl]-2-fluoranyl-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-[2-(3-ethyl-1-methyl-pentoxy)carbonylphenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-[2-[4-ethylhexan-2-yloxy(oxo)methyl]phenyl]-2-fluoro-4-(4-nonoxyphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-[2-(4-ethylhexan-2-yloxycarbonyl)phenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-[2-(3-ethyl-1-methyl-pentoxy)carbonylphenyl]-2-fluoro-4-(4-nonoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C37H49FO5 MolecularWeight: 592.780363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(CC)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2C=CC(C(=C2)F)(C3=CC=CC=C3C(=O)OC(C)CC(CC)CC)C(=O)O

InChI

InChI=1S/C37H49FO5/c1-5-8-9-10-11-12-15-24-42-31-20-18-29(19-21-31)30-22-23-37(36(40)41,34(38)26-30)33-17-14-13-16-32(33)35(39)43-27(4)25-28(6-2)7-3/h13-14,16-23,26-28,30H,5-12,15,24-25H2,1-4H3,(H,40,41)