4-[8-(4-phenylmethoxyphenoxy)octyl]heptane-3,5-dione

Systemtic Name: 4-[8-(4-phenylmethoxyphenoxy)octyl]heptane-3,5-dione Openeye Name: 4-[8-(4-benzyloxyphenoxy)octyl]heptane-3,5-dione CAS Name: 4-[8-(4-phenylmethoxyphenoxy)octyl]heptane-3,5-dione IUPAC Name: 4-[8-(4-phenylmethoxyphenoxy)octyl]heptane-3,5-dione Traditional Name: 4-[8-(4-benzoxyphenoxy)octyl]heptane-3,5-dione Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CC

InChI

InChI=1S/C28H38O4/c1-3-27(29)26(28(30)4-2)16-12-7-5-6-8-13-21-31-24-17-19-25(20-18-24)32-22-23-14-10-9-11-15-23/h9-11,14-15,17-20,26H,3-8,12-13,16,21-22H2,1-2H3