3-acetyloxy-5-octadecoxy-benzoic acid

Systemtic Name: 3-acetyloxy-5-octadecoxy-benzoic acid Openeye Name: 3-acetoxy-5-octadecoxy-benzoic acid CAS Name: 3-acetyloxy-5-octadecoxybenzoic acid IUPAC Name: 3-acetyloxy-5-octadecoxybenzoic acid Traditional Name: 3-acetoxy-5-stearyloxy-benzoic acid Formula: C27H44O5 MolecularWeight: 448.63526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)C)C(=O)O

InChI

InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-25-20-24(27(29)30)21-26(22-25)32-23(2)28/h20-22H,3-19H2,1-2H3,(H,29,30)