[4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 2-fluoranyl-4-(4-propylphenyl)benzoate

Systemtic Name: [4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 2-fluoranyl-4-(4-propylphenyl)benzoate Openeye Name: [4-(3-ethyl-1-methyl-pentoxy)carbonylphenyl] 2-fluoro-4-(4-propylphenyl)benzoate CAS Name: 2-fluoro-4-(4-propylphenyl)benzoic acid [4-[4-ethylhexan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(4-ethylhexan-2-yloxycarbonyl)phenyl] 2-fluoro-4-(4-propylphenyl)benzoate Traditional Name: 2-fluoro-4-(4-propylphenyl)benzoic acid [4-(3-ethyl-1-methyl-pentoxy)carbonylphenyl] ester Formula: C31H35FO4 MolecularWeight: 490.605603

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CC(CC)CC)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CC(CC)CC)F

InChI

InChI=1S/C31H35FO4/c1-5-8-23-9-11-24(12-10-23)26-15-18-28(29(32)20-26)31(34)36-27-16-13-25(14-17-27)30(33)35-21(4)19-22(6-2)7-3/h9-18,20-22H,5-8,19H2,1-4H3