19-oxidanyl-19-(1-oxidanyl-2-oxidanylidene-pentyl)dotetracontane-18,21-dione

Systemtic Name: 19-oxidanyl-19-(1-oxidanyl-2-oxidanylidene-pentyl)dotetracontane-18,21-dione Openeye Name: 19-hydroxy-19-(1-hydroxy-2-oxo-pentyl)dotetracontane-18,21-dione CAS Name: 19-hydroxy-19-(1-hydroxy-2-oxopentyl)dotetracontane-18,21-dione IUPAC Name: 19-hydroxy-19-(1-hydroxy-2-oxopentyl)dotetracontane-18,21-dione Traditional Name: 19-hydroxy-19-(1-hydroxy-2-keto-pentyl)dotetracontane-18,21-dione Formula: C47H90O5 MolecularWeight: 735.2145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H90O5/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-40-43(48)42-47(52,46(51)44(49)39-6-3)45(50)41-38-36-34-32-30-28-25-20-18-16-14-12-10-8-5-2/h46,51-52H,4-42H2,1-3H3