5,6-bis(fluoranyl)-4-heptoxy-6-(5-octylpyridin-2-yl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5,6-bis(fluoranyl)-4-heptoxy-6-(5-octylpyridin-2-yl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5,6-difluoro-4-heptoxy-6-(5-octyl-2-pyridyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5,6-difluoro-4-heptoxy-6-(5-octyl-2-pyridinyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5,6-difluoro-4-heptoxy-6-(5-octylpyridin-2-yl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5,6-difluoro-4-heptoxy-6-(5-octyl-2-pyridyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C27H39F2NO3 MolecularWeight: 463.600266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2(C(C=CC(=C2F)OCCCCCCC)C(=O)O)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2(C(C=CC(=C2F)OCCCCCCC)C(=O)O)F

InChI

InChI=1S/C27H39F2NO3/c1-3-5-7-9-10-12-14-21-15-18-24(30-20-21)27(29)22(26(31)32)16-17-23(25(27)28)33-19-13-11-8-6-4-2/h15-18,20,22H,3-14,19H2,1-2H3,(H,31,32)