(4-nonan-5-yloxycarbonylphenyl) 2-fluoranyl-4-(4-nonoxyphenyl)benzoate

Systemtic Name: (4-nonan-5-yloxycarbonylphenyl) 2-fluoranyl-4-(4-nonoxyphenyl)benzoate Openeye Name: [4-(1-butylpentoxycarbonyl)phenyl] 2-fluoro-4-(4-nonoxyphenyl)benzoate CAS Name: 2-fluoro-4-(4-nonoxyphenyl)benzoic acid [4-[nonan-5-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-nonan-5-yloxycarbonylphenyl) 2-fluoro-4-(4-nonoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(4-nonoxyphenyl)benzoic acid [4-(1-butylpentoxycarbonyl)phenyl] ester Formula: C38H49FO5 MolecularWeight: 604.791063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCC)CCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCC)CCCC)F

InChI

InChI=1S/C38H49FO5/c1-4-7-10-11-12-13-14-27-42-32-22-17-29(18-23-32)31-21-26-35(36(39)28-31)38(41)44-34-24-19-30(20-25-34)37(40)43-33(15-8-5-2)16-9-6-3/h17-26,28,33H,4-16,27H2,1-3H3