8-ethanoyl-13-(3-methylphenoxy)-12-oxidanyl-tridecanoic acid

Systemtic Name: 8-ethanoyl-13-(3-methylphenoxy)-12-oxidanyl-tridecanoic acid Openeye Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid CAS Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid IUPAC Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid Traditional Name: 8-acetyl-12-hydroxy-13-(3-methylphenoxy)tridecanoic acid Formula: C22H34O5 MolecularWeight: 378.50236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCC(CCCCCCC(=O)O)C(=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCC(CCCCCCC(=O)O)C(=O)C)O

InChI

InChI=1S/C22H34O5/c1-17-9-7-13-21(15-17)27-16-20(24)12-8-11-19(18(2)23)10-5-3-4-6-14-22(25)26/h7,9,13,15,19-20,24H,3-6,8,10-12,14,16H2,1-2H3,(H,25,26)