2-[2-(8-acetyloxy-4-ethanoyl-tridecyl)phenyl]ethanoic acid

Systemtic Name: 2-[2-(8-acetyloxy-4-ethanoyl-tridecyl)phenyl]ethanoic acid Openeye Name: 2-[2-(8-acetoxy-4-acetyl-tridecyl)phenyl]acetic acid CAS Name: 2-[2-(4-acetyl-8-acetyloxytridecyl)phenyl]acetic acid IUPAC Name: 2-[2-(4-acetyl-8-acetyloxytridecyl)phenyl]acetic acid Traditional Name: 2-[2-(8-acetoxy-4-acetyl-tridecyl)phenyl]acetic acid Formula: C25H38O5 MolecularWeight: 418.56622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCC1=CC=CC=C1CC(=O)O)C(=O)C)OC(=O)C

Isomeric SMILES

CCCCCC(CCCC(CCCC1=CC=CC=C1CC(=O)O)C(=O)C)OC(=O)C

InChI

InChI=1S/C25H38O5/c1-4-5-6-16-24(30-20(3)27)17-10-14-21(19(2)26)13-9-15-22-11-7-8-12-23(22)18-25(28)29/h7-8,11-12,21,24H,4-6,9-10,13-18H2,1-3H3,(H,28,29)