6-[2-(3-methoxy-3-oxidanylidene-propyl)-3-(6-oxidanylhexyl)phenyl]hexanoic acid

Systemtic Name: 6-[2-(3-methoxy-3-oxidanylidene-propyl)-3-(6-oxidanylhexyl)phenyl]hexanoic acid Openeye Name: 6-[3-(6-hydroxyhexyl)-2-(3-methoxy-3-oxo-propyl)phenyl]hexanoic acid CAS Name: 6-[3-(6-hydroxyhexyl)-2-(3-methoxy-3-oxopropyl)phenyl]hexanoic acid IUPAC Name: 6-[3-(6-hydroxyhexyl)-2-(3-methoxy-3-oxopropyl)phenyl]hexanoic acid Traditional Name: 6-[3-(6-hydroxyhexyl)-2-(3-keto-3-methoxy-propyl)phenyl]hexanoic acid Formula: C22H34O5 MolecularWeight: 378.50236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC=C1CCCCCCO)CCCCCC(=O)O

Isomeric SMILES

COC(=O)CCC1=C(C=CC=C1CCCCCCO)CCCCCC(=O)O

InChI

InChI=1S/C22H34O5/c1-27-22(26)16-15-20-18(10-5-2-3-8-17-23)12-9-13-19(20)11-6-4-7-14-21(24)25/h9,12-13,23H,2-8,10-11,14-17H2,1H3,(H,24,25)