24-ethanoyl-23-oxidanyl-22,26-bis(oxidanylidene)heptatetracontan-24-olate

Systemtic Name: 24-ethanoyl-23-oxidanyl-22,26-bis(oxidanylidene)heptatetracontan-24-olate Openeye Name: 24-acetyl-23-hydroxy-22,26-dioxo-heptatetracontan-24-olate CAS Name: 24-acetyl-23-hydroxy-22,26-dioxo-24-heptatetracontanolate IUPAC Name: 24-acetyl-23-hydroxy-22,26-dioxoheptatetracontan-24-olate Traditional Name: 24-acetyl-23-hydroxy-22,26-diketo-heptatetracontan-24-olate Formula: C49H93O5- MolecularWeight: 762.25972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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