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

Systemtic Name: 2-fluoranyl-4-(2-hexan-2-yloxycarbonylphenyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-fluoro-4-[2-(1-methylpentoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-4-[2-[hexan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-fluoro-4-(2-hexan-2-yloxycarbonylphenyl)-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-4-[2-(1-methylpentoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C31H43FO6 MolecularWeight: 530.667923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43FO6/c1-4-6-8-9-10-11-12-13-19-28(33)38-31(21-20-25(29(34)35)27(32)22-31)26-18-15-14-17-24(26)30(36)37-23(3)16-7-5-2/h14-15,17-18,20-23,25H,4-13,16,19H2,1-3H3,(H,34,35)