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

Systemtic Name: 23-oxidanyl-22,26-bis(oxidanylidene)-24-propanoyl-heptatetracontan-24-olate Openeye Name: 23-hydroxy-22,26-dioxo-24-propanoyl-heptatetracontan-24-olate CAS Name: 23-hydroxy-22,26-dioxo-24-(1-oxopropyl)-24-heptatetracontanolate IUPAC Name: 23-hydroxy-22,26-dioxo-24-propanoylheptatetracontan-24-olate Traditional Name: 23-hydroxy-22,26-diketo-24-propionyl-heptatetracontan-24-olate Formula: C50H95O5- MolecularWeight: 776.2863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H95O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46(51)45-50(55,48(53)6-3)49(54)47(52)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h49,54H,4-45H2,1-3H3/q-1