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

Systemtic Name: 4-[8-(4-oxidanylphenoxy)octyl]heptane-3,5-dione Openeye Name: 4-[8-(4-hydroxyphenoxy)octyl]heptane-3,5-dione CAS Name: 4-[8-(4-hydroxyphenoxy)octyl]heptane-3,5-dione IUPAC Name: 4-[8-(4-hydroxyphenoxy)octyl]heptane-3,5-dione Traditional Name: 4-[8-(4-hydroxyphenoxy)octyl]heptane-3,5-dione Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-3-20(23)19(21(24)4-2)11-9-7-5-6-8-10-16-25-18-14-12-17(22)13-15-18/h12-15,19,22H,3-11,16H2,1-2H3