22-butanoyl-21-oxidanyl-20,24-bis(oxidanylidene)tritetracontan-22-olate

Systemtic Name: 22-butanoyl-21-oxidanyl-20,24-bis(oxidanylidene)tritetracontan-22-olate Openeye Name: 22-butanoyl-21-hydroxy-20,24-dioxo-tritetracontan-22-olate CAS Name: 21-hydroxy-20,24-dioxo-22-(1-oxobutyl)-22-tritetracontanolate IUPAC Name: 22-butanoyl-21-hydroxy-20,24-dioxotritetracontan-22-olate Traditional Name: 22-butyryl-21-hydroxy-20,24-diketo-tritetracontan-22-olate Formula: C47H89O5- MolecularWeight: 734.20656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H89O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-43(48)42-47(52,45(50)39-6-3)46(51)44(49)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h46,51H,4-42H2,1-3H3/q-1