22-oxidanyl-20,23-bis(oxidanylidene)-21-(2-oxidanylidenepropyl)dotetracontan-21-olate

Systemtic Name: 22-oxidanyl-20,23-bis(oxidanylidene)-21-(2-oxidanylidenepropyl)dotetracontan-21-olate Openeye Name: 21-acetonyl-22-hydroxy-20,23-dioxo-dotetracontan-21-olate CAS Name: 22-hydroxy-20,23-dioxo-21-(2-oxopropyl)-21-dotetracontanolate IUPAC Name: 22-hydroxy-20,23-dioxo-21-(2-oxopropyl)dotetracontan-21-olate Traditional Name: 21-acetonyl-22-hydroxy-20,23-diketo-dotetracontan-21-olate Formula: C45H85O5- MolecularWeight: 706.1534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCC)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)C)(C(=O)CCCCCCCCCCCCCCCCCCC)[O-])O

InChI

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