[2-fluoranyl-3-heptyl-4-(4-phenylphenyl)phenyl] 6-cyclopentylhexanoate

Systemtic Name: [2-fluoranyl-3-heptyl-4-(4-phenylphenyl)phenyl] 6-cyclopentylhexanoate Openeye Name: [2-fluoro-3-heptyl-4-(4-phenylphenyl)phenyl] 6-cyclopentylhexanoate CAS Name: 6-cyclopentylhexanoic acid [2-fluoro-3-heptyl-4-(4-phenylphenyl)phenyl] ester IUPAC Name: [2-fluoro-3-heptyl-4-(4-phenylphenyl)phenyl] 6-cyclopentylhexanoate Traditional Name: 6-cyclopentylhexanoic acid [2-fluoro-3-heptyl-4-(4-phenylphenyl)phenyl] ester Formula: C36H45FO2 MolecularWeight: 528.739703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC(=C1F)OC(=O)CCCCCC2CCCC2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC1=C(C=CC(=C1F)OC(=O)CCCCCC2CCCC2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H45FO2/c1-2-3-4-5-11-20-33-32(31-24-22-30(23-25-31)29-18-9-7-10-19-29)26-27-34(36(33)37)39-35(38)21-12-6-8-15-28-16-13-14-17-28/h7,9-10,18-19,22-28H,2-6,8,11-17,20-21H2,1H3