17-oxidanyl-16,20-bis(oxidanylidene)-18-propanoyl-hentetracontan-18-olate

Systemtic Name: 17-oxidanyl-16,20-bis(oxidanylidene)-18-propanoyl-hentetracontan-18-olate Openeye Name: 17-hydroxy-16,20-dioxo-18-propanoyl-hentetracontan-18-olate CAS Name: 17-hydroxy-16,20-dioxo-18-(1-oxopropyl)-18-hentetracontanolate IUPAC Name: 17-hydroxy-16,20-dioxo-18-propanoylhentetracontan-18-olate Traditional Name: 17-hydroxy-16,20-diketo-18-propionyl-hentetracontan-18-olate Formula: C44H83O5- MolecularWeight: 692.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H83O5/c1-4-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-40(45)39-44(49,42(47)6-3)43(48)41(46)38-36-34-32-30-28-25-18-16-14-12-10-8-5-2/h43,48H,4-39H2,1-3H3/q-1