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

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

Systemtic Name:4-decanoyloxy-2-fluoranyl-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid
Openeye Name:4-decanoyloxy-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-oxodecoxy)-1-cyclohexa-2,5-dienecarboxylic acid
IUPAC Name:4-decanoyloxy-2-fluoro-4-(2-octan-2-yloxycarbonylphenyl)cyclohexa-2,5-diene-1-carboxylic acid
Traditional Name:4-capryloxy-2-fluoro-4-[2-(1-methylheptoxycarbonyl)phenyl]cyclohexa-2,5-diene-1-carboxylic acid
Formula: C32H45FO6
MolecularWeight: 544.694503
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C32H45FO6/c1-4-6-8-10-11-12-14-20-29(34)39-32(22-21-26(30(35)36)28(33)23-32)27-19-16-15-18-25(27)31(37)38-24(3)17-13-9-7-5-2/h15-16,18-19,21-24,26H,4-14,17,20H2,1-3H3,(H,35,36)


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