5-hexadecoxy-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 5-hexadecoxy-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 5-hexadecoxy-4-oxo-pyran-2-carboxylic acid CAS Name: 5-hexadecoxy-4-oxo-2-pyrancarboxylic acid IUPAC Name: 5-hexadecoxy-4-oxopyran-2-carboxylic acid Traditional Name: 5-cetyloxy-4-keto-pyran-2-carboxylic acid Formula: C22H36O5 MolecularWeight: 380.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=COC(=CC1=O)C(=O)O

InChI

InChI=1S/C22H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-21-18-27-20(22(24)25)17-19(21)23/h17-18H,2-16H2,1H3,(H,24,25)