24-oxidanyl-22,25-bis(oxidanylidene)-23-(2-oxidanylidenepropyl)hexatetracontan-23-olate

Systemtic Name: 24-oxidanyl-22,25-bis(oxidanylidene)-23-(2-oxidanylidenepropyl)hexatetracontan-23-olate Openeye Name: 23-acetonyl-24-hydroxy-22,25-dioxo-hexatetracontan-23-olate CAS Name: 24-hydroxy-22,25-dioxo-23-(2-oxopropyl)-23-hexatetracontanolate IUPAC Name: 24-hydroxy-22,25-dioxo-23-(2-oxopropyl)hexatetracontan-23-olate Traditional Name: 23-acetonyl-24-hydroxy-22,25-diketo-hexatetracontan-23-olate Formula: C49H93O5- MolecularWeight: 762.25972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCCCC)[O-])O

InChI

InChI=1S/C49H93O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-46(51)48(53)49(54,44-45(3)50)47(52)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h48,53H,4-44H2,1-3H3/q-1