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

Systemtic Name: 17-oxidanyl-16,20-bis(oxidanylidene)-18-propanoyl-nonatriacontan-18-olate Openeye Name: 17-hydroxy-16,20-dioxo-18-propanoyl-nonatriacontan-18-olate CAS Name: 17-hydroxy-16,20-dioxo-18-(1-oxopropyl)-18-nonatriacontanolate IUPAC Name: 17-hydroxy-16,20-dioxo-18-propanoylnonatriacontan-18-olate Traditional Name: 17-hydroxy-16,20-diketo-18-propionyl-nonatriacontan-18-olate Formula: C42H79O5- MolecularWeight: 664.07366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79O5/c1-4-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-38(43)37-42(47,40(45)6-3)41(46)39(44)36-34-32-30-28-26-23-18-16-14-12-10-8-5-2/h41,46H,4-37H2,1-3H3/q-1