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

Systemtic Name: 22-ethanoyl-21-oxidanyl-20,24-bis(oxidanylidene)tritetracontan-22-olate Openeye Name: 22-acetyl-21-hydroxy-20,24-dioxo-tritetracontan-22-olate CAS Name: 22-acetyl-21-hydroxy-20,24-dioxo-22-tritetracontanolate IUPAC Name: 22-acetyl-21-hydroxy-20,24-dioxotritetracontan-22-olate Traditional Name: 22-acetyl-21-hydroxy-20,24-diketo-tritetracontan-22-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H85O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(47)40-45(50,41(3)46)44(49)43(48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44,49H,4-40H2,1-3H3/q-1