25,26-bis(oxidanyl)-25-(2-oxidanylidenepropyl)pentacontane-24,27-dione

Systemtic Name: 25,26-bis(oxidanyl)-25-(2-oxidanylidenepropyl)pentacontane-24,27-dione Openeye Name: 25-acetonyl-25,26-dihydroxy-pentacontane-24,27-dione CAS Name: 25,26-dihydroxy-25-(2-oxopropyl)pentacontane-24,27-dione IUPAC Name: 25,26-dihydroxy-25-(2-oxopropyl)pentacontane-24,27-dione Traditional Name: 25-acetonyl-25,26-dihydroxy-pentacontane-24,27-dione Formula: C53H102O5 MolecularWeight: 819.37398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C53H102O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-50(55)52(57)53(58,48-49(3)54)51(56)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h52,57-58H,4-48H2,1-3H3