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

Systemtic Name: 24-butanoyl-23-oxidanyl-22,26-bis(oxidanylidene)heptatetracontan-24-olate Openeye Name: 24-butanoyl-23-hydroxy-22,26-dioxo-heptatetracontan-24-olate CAS Name: 23-hydroxy-22,26-dioxo-24-(1-oxobutyl)-24-heptatetracontanolate IUPAC Name: 24-butanoyl-23-hydroxy-22,26-dioxoheptatetracontan-24-olate Traditional Name: 24-butyryl-23-hydroxy-22,26-diketo-heptatetracontan-24-olate Formula: C51H97O5- MolecularWeight: 790.31288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H97O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-47(52)46-51(56,49(54)43-6-3)50(55)48(53)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h50,55H,4-46H2,1-3H3/q-1