20,23-bis(oxidanylidene)-21-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontan-21-olate

Systemtic Name: 20,23-bis(oxidanylidene)-21-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontan-21-olate Openeye Name: 21-(1-hydroxy-2-oxo-pentyl)-20,23-dioxo-tetratetracontan-21-olate CAS Name: 21-(1-hydroxy-2-oxopentyl)-20,23-dioxo-21-tetratetracontanolate IUPAC Name: 21-(1-hydroxy-2-oxopentyl)-20,23-dioxotetratetracontan-21-olate Traditional Name: 21-(1-hydroxy-2-keto-pentyl)-20,23-diketo-tetratetracontan-21-olate Formula: C49H93O5- MolecularWeight: 762.25972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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