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2,3-bis(fluoranyl)-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid

2,3-bis(fluoranyl)-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name:2,3-bis(fluoranyl)-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid
Openeye Name:2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid
CAS Name:2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)-1-cyclohexa-2,5-dienecarboxylic acid
IUPAC Name:2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid
Traditional Name:2,3-difluoro-4-octoxy-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid
Formula: C29H42F2O4
MolecularWeight: 492.638186
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCC


Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCC


InChI

InChI=1S/C29H42F2O4/c1-3-5-7-9-11-15-21-34-25-18-14-13-17-24(25)29(35-22-16-12-10-8-6-4-2)20-19-23(28(32)33)26(30)27(29)31/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3,(H,32,33)


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