22,25-bis(oxidanylidene)-23-(1-oxidanyl-2-oxidanylidene-butyl)hexatetracontan-23-olate

Systemtic Name: 22,25-bis(oxidanylidene)-23-(1-oxidanyl-2-oxidanylidene-butyl)hexatetracontan-23-olate Openeye Name: 23-(1-hydroxy-2-oxo-butyl)-22,25-dioxo-hexatetracontan-23-olate CAS Name: 23-(1-hydroxy-2-oxobutyl)-22,25-dioxo-23-hexatetracontanolate IUPAC Name: 23-(1-hydroxy-2-oxobutyl)-22,25-dioxohexatetracontan-23-olate Traditional Name: 23-(1-hydroxy-2-keto-butyl)-22,25-diketo-hexatetracontan-23-olate Formula: C50H95O5- MolecularWeight: 776.2863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H95O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46(51)45-50(55,49(54)47(52)6-3)48(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h49,54H,4-45H2,1-3H3/q-1