6-oxidanyl-5,8-bis(oxidanylidene)-7-(2-oxidanylidenebutyl)nonacosan-7-olate

Systemtic Name: 6-oxidanyl-5,8-bis(oxidanylidene)-7-(2-oxidanylidenebutyl)nonacosan-7-olate Openeye Name: 6-hydroxy-5,8-dioxo-7-(2-oxobutyl)nonacosan-7-olate CAS Name: 6-hydroxy-5,8-dioxo-7-(2-oxobutyl)-7-nonacosanolate IUPAC Name: 6-hydroxy-5,8-dioxo-7-(2-oxobutyl)nonacosan-7-olate Traditional Name: 6-hydroxy-5,8-diketo-7-(2-ketobutyl)nonacosan-7-olate Formula: C33H61O5- MolecularWeight: 537.83444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)CC)(C(C(=O)CCCC)O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)CC)(C(C(=O)CCCC)O)[O-]

InChI

InChI=1S/C33H61O5/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-31(36)33(38,28-29(34)6-3)32(37)30(35)26-8-5-2/h32,37H,4-28H2,1-3H3/q-1