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

Systemtic Name: 4-decoxy-4-(2-decoxyphenyl)-2,3-bis(fluoranyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-decoxy-4-(2-decoxyphenyl)-2,3-difluoro-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-decoxy-4-(2-decoxyphenyl)-2,3-difluoro-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-decoxy-4-(2-decoxyphenyl)-2,3-difluorocyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-decoxy-4-(2-decoxyphenyl)-2,3-difluoro-cyclohexa-2,5-diene-1-carboxylic acid Formula: C33H50F2O4 MolecularWeight: 548.744506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1C2(C=CC(C(=C2F)F)C(=O)O)OCCCCCCCCCC

InChI

InChI=1S/C33H50F2O4/c1-3-5-7-9-11-13-15-19-25-38-29-22-18-17-21-28(29)33(24-23-27(32(36)37)30(34)31(33)35)39-26-20-16-14-12-10-8-6-4-2/h17-18,21-24,27H,3-16,19-20,25-26H2,1-2H3,(H,36,37)