2-fluoranyl-4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-fluoranyl-4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-fluoro-4-(2-octan-2-yloxycarbonylphenyl)-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C33H47FO6 MolecularWeight: 558.721083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(C=CC(C(=C1)F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(C=CC(C(=C1)F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCC

InChI

InChI=1S/C33H47FO6/c1-4-6-8-10-11-12-13-15-21-30(35)40-33(23-22-27(31(36)37)29(34)24-33)28-20-17-16-19-26(28)32(38)39-25(3)18-14-9-7-5-2/h16-17,19-20,22-25,27H,4-15,18,21H2,1-3H3,(H,36,37)