4-(2-decan-2-yloxycarbonylphenyl)-3-fluoranyl-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-(2-decan-2-yloxycarbonylphenyl)-3-fluoranyl-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 3-fluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[2-[decan-2-yloxy(oxo)methyl]phenyl]-3-fluoro-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(2-decan-2-yloxycarbonylphenyl)-3-fluoro-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 3-fluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C35H51FO6 MolecularWeight: 586.774243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(C=CC(C=C1F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(C=CC(C=C1F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

InChI

InChI=1S/C35H51FO6/c1-4-6-8-10-12-13-15-17-23-32(37)42-35(25-24-28(33(38)39)26-31(35)36)30-22-19-18-21-29(30)34(40)41-27(3)20-16-14-11-9-7-5-2/h18-19,21-22,24-28H,4-17,20,23H2,1-3H3,(H,38,39)