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

Systemtic Name: 2-[2-(4-ethanoyl-8-oxidanyl-tridecyl)phenyl]ethanoic acid Openeye Name: 2-[2-(4-acetyl-8-hydroxy-tridecyl)phenyl]acetic acid CAS Name: 2-[2-(4-acetyl-8-hydroxytridecyl)phenyl]acetic acid IUPAC Name: 2-[2-(4-acetyl-8-hydroxytridecyl)phenyl]acetic acid Traditional Name: 2-[2-(4-acetyl-8-hydroxy-tridecyl)phenyl]acetic acid Formula: C23H36O4 MolecularWeight: 376.52954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O4/c1-3-4-5-15-22(25)16-9-13-19(18(2)24)12-8-14-20-10-6-7-11-21(20)17-23(26)27/h6-7,10-11,19,22,25H,3-5,8-9,12-17H2,1-2H3,(H,26,27)