[3-decoxy-6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]cyclohexen-1-yl] naphthalene-2-carboxylate

Systemtic Name: [3-decoxy-6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]cyclohexen-1-yl] naphthalene-2-carboxylate Openeye Name: [3-decoxy-6-[1-(trifluoromethyl)heptoxycarbonyl]cyclohexen-1-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-decoxy-6-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]-1-cyclohexenyl] ester IUPAC Name: [3-decoxy-6-(1,1,1-trifluorooctan-2-yloxycarbonyl)cyclohexen-1-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-decoxy-6-[1-(trifluoromethyl)heptoxycarbonyl]cyclohexen-1-yl] ester Formula: C36H49F3O5 MolecularWeight: 618.76647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1CCC(C(=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1CCC(C(=C1)OC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C36H49F3O5/c1-3-5-7-9-10-11-12-16-24-42-30-22-23-31(35(41)44-33(36(37,38)39)19-13-8-6-4-2)32(26-30)43-34(40)29-21-20-27-17-14-15-18-28(27)25-29/h14-15,17-18,20-21,25-26,30-31,33H,3-13,16,19,22-24H2,1-2H3