28-oxidanyl-26,29-bis(oxidanylidene)-27-(2-oxidanylidenepentyl)tetrapentacontan-27-olate

Systemtic Name: 28-oxidanyl-26,29-bis(oxidanylidene)-27-(2-oxidanylidenepentyl)tetrapentacontan-27-olate Openeye Name: 28-hydroxy-26,29-dioxo-27-(2-oxopentyl)tetrapentacontan-27-olate CAS Name: 28-hydroxy-26,29-dioxo-27-(2-oxopentyl)-27-tetrapentacontanolate IUPAC Name: 28-hydroxy-26,29-dioxo-27-(2-oxopentyl)tetrapentacontan-27-olate Traditional Name: 28-hydroxy-26,29-diketo-27-(2-ketopentyl)tetrapentacontan-27-olate Formula: C59H113O5- MolecularWeight: 902.52552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCC)(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCC)(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[O-])O

InChI

InChI=1S/C59H113O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-52-56(61)58(63)59(64,54-55(60)51-6-3)57(62)53-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h58,63H,4-54H2,1-3H3/q-1