[4-[4-(4-methylhexyl)phenyl]phenyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-[4-(4-methylhexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-methylhexyl)phenyl]phenyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-[4-(4-methylhexyl)phenyl]phenyl] ester Formula: C34H43FO3 MolecularWeight: 518.701823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(C)CC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(C)CC)F

InChI

InChI=1S/C34H43FO3/c1-4-6-7-8-9-10-24-37-33-23-20-30(25-32(33)35)34(36)38-31-21-18-29(19-22-31)28-16-14-27(15-17-28)13-11-12-26(3)5-2/h14-23,25-26H,4-13,24H2,1-3H3