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

Systemtic Name: 23-oxidanyl-20,24-bis(oxidanylidene)-22-propanoyl-pentatetracontan-22-olate Openeye Name: 23-hydroxy-20,24-dioxo-22-propanoyl-pentatetracontan-22-olate CAS Name: 23-hydroxy-20,24-dioxo-22-(1-oxopropyl)-22-pentatetracontanolate IUPAC Name: 23-hydroxy-20,24-dioxo-22-propanoylpentatetracontan-22-olate Traditional Name: 23-hydroxy-20,24-diketo-22-propionyl-pentatetracontan-22-olate Formula: C48H91O5- MolecularWeight: 748.23314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H91O5/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-45(50)47(52)48(53,46(51)6-3)43-44(49)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-5-2/h47,52H,4-43H2,1-3H3/q-1