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

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoranyl-4-undecanoyloxy-benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 3-fluoro-4-undecanoyloxy-benzoate CAS Name: 3-fluoro-4-(1-oxoundecoxy)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 3-fluoro-4-undecanoyloxybenzoate Traditional Name: 3-fluoro-4-undecanoyloxy-benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C33H45FO6 MolecularWeight: 556.705203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45FO6/c1-4-6-8-10-11-12-13-15-17-31(35)40-30-23-20-27(24-29(30)34)33(37)39-28-21-18-26(19-22-28)32(36)38-25(3)16-14-9-7-5-2/h18-25H,4-17H2,1-3H3