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

Systemtic Name: 4-dodecanoyloxy-2-fluoranyl-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-dodecanoyloxy-2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-4-[2-[octan-2-yloxy(oxo)methyl]phenyl]-4-(1-oxododecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-dodecanoyloxy-2-fluoro-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-4-lauroyloxy-4-[2-(1-methylheptoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid Formula: C34H49FO6 MolecularWeight: 572.747663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49FO6/c1-4-6-8-10-11-12-13-14-16-22-31(36)41-34(24-23-28(32(37)38)30(35)25-34)29-21-18-17-20-27(29)33(39)40-26(3)19-15-9-7-5-2/h17-18,20-21,23-26,28H,4-16,19,22H2,1-3H3,(H,37,38)