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

Systemtic Name: 18,21-bis(oxidanylidene)-19-(1-oxidanyl-2-oxidanylidene-pentyl)tetracontan-19-olate Openeye Name: 19-(1-hydroxy-2-oxo-pentyl)-18,21-dioxo-tetracontan-19-olate CAS Name: 19-(1-hydroxy-2-oxopentyl)-18,21-dioxo-19-tetracontanolate IUPAC Name: 19-(1-hydroxy-2-oxopentyl)-18,21-dioxotetracontan-19-olate Traditional Name: 19-(1-hydroxy-2-keto-pentyl)-18,21-diketo-tetracontan-19-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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