18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-pentyl)dotetracontan-19-olate

Systemtic Name: 18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-pentyl)dotetracontan-19-olate Openeye Name: 19-(1-hydroxy-2-oxo-pentyl)-18,21-dioxo-dotetracontan-19-olate CAS Name: 19-(1-hydroxy-2-oxopentyl)-18,21-dioxo-19-dotetracontanolate IUPAC Name: 19-(1-hydroxy-2-oxopentyl)-18,21-dioxodotetracontan-19-olate Traditional Name: 19-(1-hydroxy-2-keto-pentyl)-18,21-diketo-dotetracontan-19-olate Formula: C47H89O5- MolecularWeight: 734.20656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H89O5/c1-4-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-40-43(48)42-47(52,46(51)44(49)39-6-3)45(50)41-38-36-34-32-30-28-25-20-18-16-14-12-10-8-5-2/h46,51H,4-42H2,1-3H3/q-1