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

Systemtic Name: 19-oxidanyl-18,21-bis(oxidanylidene)-20-(2-oxidanylidenepropyl)dotetracontan-20-olate Openeye Name: 20-acetonyl-19-hydroxy-18,21-dioxo-dotetracontan-20-olate CAS Name: 19-hydroxy-18,21-dioxo-20-(2-oxopropyl)-20-dotetracontanolate IUPAC Name: 19-hydroxy-18,21-dioxo-20-(2-oxopropyl)dotetracontan-20-olate Traditional Name: 20-acetonyl-19-hydroxy-18,21-diketo-dotetracontan-20-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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