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

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

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