20,23-bis(oxidanylidene)-22-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontan-22-olate

Systemtic Name: 20,23-bis(oxidanylidene)-22-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontan-22-olate Openeye Name: 22-(1-hydroxy-2-oxo-pentyl)-20,23-dioxo-tetratetracontan-22-olate CAS Name: 22-(1-hydroxy-2-oxopentyl)-20,23-dioxo-22-tetratetracontanolate IUPAC Name: 22-(1-hydroxy-2-oxopentyl)-20,23-dioxotetratetracontan-22-olate Traditional Name: 22-(1-hydroxy-2-keto-pentyl)-20,23-diketo-tetratetracontan-22-olate Formula: C49H93O5- MolecularWeight: 762.25972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H93O5/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-43-47(52)49(54,48(53)46(51)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