1,1,1-tris(fluoranyl)octan-2-yl 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate Openeye Name: 1-(trifluoromethyl)heptyl 6-benzyloxytetralin-2-carboxylate CAS Name: 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate Traditional Name: 6-benzoxytetralin-2-carboxylic acid 1-(trifluoromethyl)heptyl ester Formula: C26H31F3O3 MolecularWeight: 448.51775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1CCC2=C(C1)C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1CCC2=C(C1)C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31F3O3/c1-2-3-4-8-11-24(26(27,28)29)32-25(30)22-13-12-21-17-23(15-14-20(21)16-22)31-18-19-9-6-5-7-10-19/h5-7,9-10,14-15,17,22,24H,2-4,8,11-13,16,18H2,1H3