21,22-bis(oxidanyl)-21-(2-oxidanylidenepropyl)tetratetracontane-20,23-dione

Systemtic Name: 21,22-bis(oxidanyl)-21-(2-oxidanylidenepropyl)tetratetracontane-20,23-dione Openeye Name: 21-acetonyl-21,22-dihydroxy-tetratetracontane-20,23-dione CAS Name: 21,22-dihydroxy-21-(2-oxopropyl)tetratetracontane-20,23-dione IUPAC Name: 21,22-dihydroxy-21-(2-oxopropyl)tetratetracontane-20,23-dione Traditional Name: 21-acetonyl-21,22-dihydroxy-tetratetracontane-20,23-dione Formula: C47H90O5 MolecularWeight: 735.2145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCC)O)O

InChI

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