6-ethoxyhexyl 3,3,4-tris(fluoranyl)-1-methyl-6-phenylmethoxy-4H-naphthalene-2-carboxylate

Systemtic Name: 6-ethoxyhexyl 3,3,4-tris(fluoranyl)-1-methyl-6-phenylmethoxy-4H-naphthalene-2-carboxylate Openeye Name: 6-ethoxyhexyl 6-benzyloxy-3,3,4-trifluoro-1-methyl-4H-naphthalene-2-carboxylate CAS Name: 3,3,4-trifluoro-1-methyl-6-phenylmethoxy-4H-naphthalene-2-carboxylic acid 6-ethoxyhexyl ester IUPAC Name: 6-ethoxyhexyl 3,3,4-trifluoro-1-methyl-6-phenylmethoxy-4H-naphthalene-2-carboxylate Traditional Name: 6-benzoxy-3,3,4-trifluoro-1-methyl-4H-naphthalene-2-carboxylic acid 6-ethoxyhexyl ester Formula: C27H31F3O4 MolecularWeight: 476.52785

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(C1(F)F)F)C

Isomeric SMILES

CCOCCCCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(C1(F)F)F)C

InChI

InChI=1S/C27H31F3O4/c1-3-32-15-9-4-5-10-16-33-26(31)24-19(2)22-14-13-21(17-23(22)25(28)27(24,29)30)34-18-20-11-7-6-8-12-20/h6-8,11-14,17,25H,3-5,9-10,15-16,18H2,1-2H3