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2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-heptyl-benzoate

2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-heptyl-benzoate

Systemtic Name:2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-heptyl-benzoate
Openeye Name:2-(2,3-difluoro-4-heptoxy-phenyl)-4-heptyl-benzoate
CAS Name:2-(2,3-difluoro-4-heptoxyphenyl)-4-heptylbenzoate
IUPAC Name:2-(2,3-difluoro-4-heptoxyphenyl)-4-heptylbenzoate
Traditional Name:2-(2,3-difluoro-4-heptoxy-phenyl)-4-heptyl-benzoate
Formula: C27H35F2O3-
MolecularWeight: 445.561806
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)[O-])C2=C(C(=C(C=C2)OCCCCCCC)F)F


Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)[O-])C2=C(C(=C(C=C2)OCCCCCCC)F)F


InChI

InChI=1S/C27H36F2O3/c1-3-5-7-9-11-13-20-14-15-22(27(30)31)23(19-20)21-16-17-24(26(29)25(21)28)32-18-12-10-8-6-4-2/h14-17,19H,3-13,18H2,1-2H3,(H,30,31)/p-1


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