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

Systemtic Name: 4-decoxy-2,3-bis(fluoranyl)-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-decoxy-2,3-difluoro-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-decoxy-2,3-difluoro-4-(2-octoxyphenyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-decoxy-2,3-difluoro-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-decoxy-2,3-difluoro-4-(2-octoxyphenyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C31H46F2O4 MolecularWeight: 520.691346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1(C=CC(C(=C1F)F)C(=O)O)C2=CC=CC=C2OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1(C=CC(C(=C1F)F)C(=O)O)C2=CC=CC=C2OCCCCCCCC

InChI

InChI=1S/C31H46F2O4/c1-3-5-7-9-11-12-14-18-24-37-31(22-21-25(30(34)35)28(32)29(31)33)26-19-15-16-20-27(26)36-23-17-13-10-8-6-4-2/h15-16,19-22,25H,3-14,17-18,23-24H2,1-2H3,(H,34,35)