[4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 6-decoxynaphthalene-2-carboxylate

Systemtic Name: [4-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]phenyl] 6-decoxynaphthalene-2-carboxylate Openeye Name: [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] 6-decoxynaphthalene-2-carboxylate CAS Name: 6-decoxy-2-naphthalenecarboxylic acid [4-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]phenyl] ester IUPAC Name: [4-(1,1,1-trifluorooctan-2-yloxycarbonyl)phenyl] 6-decoxynaphthalene-2-carboxylate Traditional Name: 6-decoxynaphthalene-2-carboxylic acid [4-[1-(trifluoromethyl)heptoxycarbonyl]phenyl] ester Formula: C36H45F3O5 MolecularWeight: 614.73471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C36H45F3O5/c1-3-5-7-9-10-11-12-14-24-42-32-23-20-28-25-30(17-16-29(28)26-32)35(41)43-31-21-18-27(19-22-31)34(40)44-33(36(37,38)39)15-13-8-6-4-2/h16-23,25-26,33H,3-15,24H2,1-2H3