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

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoranyl-4-octanoyloxy-benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 3-fluoro-4-octanoyloxy-benzoate CAS Name: 3-fluoro-4-(1-oxooctoxy)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoro-4-octanoyloxybenzoate Traditional Name: 4-caprylyloxy-3-fluoro-benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C30H39FO6 MolecularWeight: 514.625463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39FO6/c1-4-6-8-10-12-14-28(32)37-27-20-17-24(21-26(27)31)30(34)36-25-18-15-23(16-19-25)29(33)35-22(3)13-11-9-7-5-2/h15-22H,4-14H2,1-3H3