(4-octan-2-yloxycarbonylphenyl) 4-decanoyloxy-3-fluoranyl-benzoate

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 4-decanoyloxy-3-fluoranyl-benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 4-decanoyloxy-3-fluoro-benzoate CAS Name: 3-fluoro-4-(1-oxodecoxy)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 4-decanoyloxy-3-fluorobenzoate Traditional Name: 4-capryloxy-3-fluoro-benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C32H43FO6 MolecularWeight: 542.678623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C)CCCCCC)F

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC(C)CCCCCC)F

InChI

InChI=1S/C32H43FO6/c1-4-6-8-10-11-12-14-16-30(34)39-29-22-19-26(23-28(29)33)32(36)38-27-20-17-25(18-21-27)31(35)37-24(3)15-13-9-7-5-2/h17-24H,4-16H2,1-3H3