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

Systemtic Name: 6-ethoxyheptyl 3,3,4-tris(fluoranyl)-1-methyl-6-phenylmethoxy-4H-naphthalene-2-carboxylate Openeye Name: 6-ethoxyheptyl 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-ethoxyheptyl ester IUPAC Name: 6-ethoxyheptyl 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-ethoxyheptyl ester Formula: C28H33F3O4 MolecularWeight: 490.55443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)CCCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(C1(F)F)F)C

Isomeric SMILES

CCOC(C)CCCCCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(C1(F)F)F)C

InChI

InChI=1S/C28H33F3O4/c1-4-33-19(2)11-7-6-10-16-34-27(32)25-20(3)23-15-14-22(17-24(23)26(29)28(25,30)31)35-18-21-12-8-5-9-13-21/h5,8-9,12-15,17,19,26H,4,6-7,10-11,16,18H2,1-3H3