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

Systemtic Name: 19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenepentyl)tetracontan-20-olate Openeye Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)tetracontan-20-olate CAS Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)-20-tetracontanolate IUPAC Name: 19-hydroxy-18,21-dioxo-20-(2-oxopentyl)tetracontan-20-olate Traditional Name: 19-hydroxy-18,21-diketo-20-(2-ketopentyl)tetracontan-20-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H85O5/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-39-43(48)45(50,40-41(46)37-6-3)44(49)42(47)38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h44,49H,4-40H2,1-3H3/q-1