22-butanoyl-23-oxidanyl-20,24-bis(oxidanylidene)pentatetracontan-22-olate

Systemtic Name: 22-butanoyl-23-oxidanyl-20,24-bis(oxidanylidene)pentatetracontan-22-olate Openeye Name: 22-butanoyl-23-hydroxy-20,24-dioxo-pentatetracontan-22-olate CAS Name: 23-hydroxy-20,24-dioxo-22-(1-oxobutyl)-22-pentatetracontanolate IUPAC Name: 22-butanoyl-23-hydroxy-20,24-dioxopentatetracontan-22-olate Traditional Name: 22-butyryl-23-hydroxy-20,24-diketo-pentatetracontan-22-olate Formula: C49H93O5- MolecularWeight: 762.25972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCCCCCCCCCCCCCCCCCC)(C(=O)CCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCCCCCCCCCCCCCCCCCC)(C(=O)CCC)[O-])O

InChI

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