19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenepentyl)dotetracontan-20-olate

Systemtic Name: 19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenepentyl)dotetracontan-20-olate Openeye Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)dotetracontan-20-olate CAS Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)-20-dotetracontanolate IUPAC Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)dotetracontan-20-olate Traditional Name: 19-hydroxy-18,21-diketo-20-(2-ketopentyl)dotetracontan-20-olate Formula: C47H89O5- MolecularWeight: 734.20656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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