19,20-bis(oxidanyl)-20-(2-oxidanylidenepropyl)dotetracontane-18,21-dione

Systemtic Name: 19,20-bis(oxidanyl)-20-(2-oxidanylidenepropyl)dotetracontane-18,21-dione Openeye Name: 20-acetonyl-19,20-dihydroxy-dotetracontane-18,21-dione CAS Name: 19,20-dihydroxy-20-(2-oxopropyl)dotetracontane-18,21-dione IUPAC Name: 19,20-dihydroxy-20-(2-oxopropyl)dotetracontane-18,21-dione Traditional Name: 20-acetonyl-19,20-dihydroxy-dotetracontane-18,21-dione Formula: C45H86O5 MolecularWeight: 707.16134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)CCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)C)(C(C(=O)CCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C45H86O5/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-43(48)45(50,40-41(3)46)44(49)42(47)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h44,49-50H,4-40H2,1-3H3