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

Systemtic Name: 21,22-bis(oxidanyl)-22-(2-oxidanylidenepropyl)tetratetracontane-20,23-dione Openeye Name: 22-acetonyl-21,22-dihydroxy-tetratetracontane-20,23-dione CAS Name: 21,22-dihydroxy-22-(2-oxopropyl)tetratetracontane-20,23-dione IUPAC Name: 21,22-dihydroxy-22-(2-oxopropyl)tetratetracontane-20,23-dione Traditional Name: 22-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(CC(=O)C)(C(C(=O)CCCCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

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

InChI

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