22-oxidanyl-20,23-bis(oxidanylidene)-21-(2-oxidanylidenepropyl)tetratetracontan-21-olate

Systemtic Name: 22-oxidanyl-20,23-bis(oxidanylidene)-21-(2-oxidanylidenepropyl)tetratetracontan-21-olate Openeye Name: 21-acetonyl-22-hydroxy-20,23-dioxo-tetratetracontan-21-olate CAS Name: 22-hydroxy-20,23-dioxo-21-(2-oxopropyl)-21-tetratetracontanolate IUPAC Name: 22-hydroxy-20,23-dioxo-21-(2-oxopropyl)tetratetracontan-21-olate Traditional Name: 21-acetonyl-22-hydroxy-20,23-diketo-tetratetracontan-21-olate Formula: C47H89O5- MolecularWeight: 734.20656

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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/C47H89O5/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/h46,51H,4-42H2,1-3H3/q-1