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

Systemtic Name: 2-fluoranyl-4-(2-octan-2-yloxycarbonylphenyl)-4-tridecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]-4-tridecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxotridecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-fluoro-4-(2-octan-2-yloxycarbonylphenyl)-4-tridecanoyloxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]-4-tridecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C35H51FO6 MolecularWeight: 586.774243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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