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2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-hexoxy-benzoic acid

2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-hexoxy-benzoic acid

Systemtic Name:2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-4-hexoxy-benzoic acid
Openeye Name:2-(2,3-difluoro-4-octoxy-phenyl)-4-hexoxy-benzoic acid
CAS Name:2-(2,3-difluoro-4-octoxyphenyl)-4-hexoxybenzoic acid
IUPAC Name:2-(2,3-difluoro-4-octoxyphenyl)-4-hexoxybenzoic acid
Traditional Name:2-(2,3-difluoro-4-octoxy-phenyl)-4-hexoxy-benzoic acid
Formula: C27H36F2O4
MolecularWeight: 462.569146
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)OCCCCCC)C(=O)O)F)F


Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=CC(=C2)OCCCCCC)C(=O)O)F)F


InChI

InChI=1S/C27H36F2O4/c1-3-5-7-9-10-12-18-33-24-16-15-21(25(28)26(24)29)23-19-20(13-14-22(23)27(30)31)32-17-11-8-6-4-2/h13-16,19H,3-12,17-18H2,1-2H3,(H,30,31)


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